data_2em5_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 2em5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 33.2 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.43 145.25 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 48.5 t -89.75 149.47 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -104.51 -19.31 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.5 mm-40 -68.07 -41.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -123.42 -40.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 32.28 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.9 170.15 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.42 140.2 11.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 28' ' ' LEU . 80.4 m-85 -139.75 140.22 36.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -74.58 -46.97 35.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' LYS . 36.1 mt -96.35 118.0 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' N ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -36.34 -52.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -43.97 -53.76 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -40.77 -65.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.2 tp -52.17 -56.73 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 22.9 t-20 -37.46 -51.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.93 -33.94 76.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 34' ' ' ILE . 6.6 t60 -67.44 -54.38 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -43.28 -30.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -46.67 -39.74 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' HIS . 20.3 pt -51.72 -36.41 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.9 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.308 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -117.28 140.86 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 t -76.32 164.53 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -115.53 -19.81 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -76.58 -41.49 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -121.1 -37.57 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 32.21 5.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -79.38 174.91 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.86 129.86 5.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 28' ' ' LEU . 27.5 m-85 -131.8 129.16 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.2 p -62.3 -49.04 77.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.457 HD11 ' CE1' ' A' ' 27' ' ' HIS . 53.5 mt -91.71 132.34 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -50.8 -47.78 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -49.49 -52.78 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CE1' HD11 ' A' ' 24' ' ' LEU . 48.6 m170 -40.81 -63.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 22' ' ' PHE . 40.1 tp -54.32 -44.47 72.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -53.94 -49.7 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.36 -7.08 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 34' ' ' ILE . 10.9 t60 -90.82 -34.77 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.59 -10.99 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -65.13 -15.39 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 31' ' ' HIS . 4.8 pt -82.9 -27.76 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -128.43 138.18 52.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.2 t -75.8 153.56 36.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -105.82 -20.22 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.1 mm-40 -73.89 -44.72 54.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.88 -38.89 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.71 16.09 11.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -70.95 -177.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.55 145.15 13.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -140.13 159.89 41.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.46 -61.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -75.86 142.79 42.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -60.83 -39.8 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 46.3 m170 -47.9 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.17 -49.42 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -50.53 -48.88 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.2 -31.88 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 34' ' ' ILE . 7.8 t60 -69.76 -36.15 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.6 -11.04 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -67.9 -18.92 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 31' ' ' HIS . 12.1 pt -77.85 -9.4 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.419 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.8 m-70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -100.71 135.12 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -65.4 164.1 14.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -111.89 -23.69 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -75.23 -41.48 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.92 -38.39 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.76 23.35 9.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -70.6 159.64 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.22 125.44 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 98.6 m-85 -125.16 127.67 47.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.6 m -65.27 -47.91 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 27' ' ' HIS . 47.9 mt -95.5 124.87 39.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 13' ' ' HIS . 12.6 tppt? -45.71 -47.34 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -48.18 -45.09 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' CE1' HD11 ' A' ' 24' ' ' LEU . 64.2 m170 -53.77 -60.67 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.69 -43.65 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -56.89 -65.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -59.14 -14.55 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' HD13 ' A' ' 34' ' ' ILE . 9.8 t60 -80.82 -41.92 22.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.22 -24.73 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 14.3 mmm180 -53.19 -16.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 35' ' ' HIS . 10.5 pt -76.86 -38.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.9 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.74 0.305 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -123.79 145.34 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.8 161.6 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -114.34 -17.68 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.4 mm-40 -80.42 -41.09 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.96 -36.03 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.94 25.35 8.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.06 163.86 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.65 143.18 15.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 57.5 m-85 -143.11 125.48 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -60.16 -48.24 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.48 127.69 37.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -51.14 23.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -46.51 -54.88 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -41.22 -65.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 21.6 tp -52.19 -59.02 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -40.91 -50.79 3.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -69.11 -29.28 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' HD12 ' A' ' 34' ' ' ILE . 6.3 t60 -69.98 -39.23 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -54.53 -14.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -62.98 -30.93 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' CE1' ' A' ' 31' ' ' HIS . 10.2 pt -66.87 -7.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.0 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.561 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 44.3 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.745 0.307 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.1 142.33 51.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.21 160.66 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -110.36 -23.04 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 45.7 mm-40 -73.23 -41.52 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -120.05 -40.56 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.77 41.4 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -89.0 163.66 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.76 128.27 8.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -129.98 129.58 43.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.3 m -68.62 -48.03 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 27' ' ' HIS . 84.7 mt -90.43 119.08 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 42.1 tptt -40.93 -44.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 t -51.96 -54.73 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' HD11 ' A' ' 24' ' ' LEU . 42.8 m170 -40.24 -62.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.31 -59.68 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -42.73 -55.84 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.6 -29.18 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.61 -45.43 75.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -48.32 -20.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.69 -33.92 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 pt -62.84 -8.95 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -113.25 140.39 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.78 164.67 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -110.62 -27.48 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.4 mm-40 -71.5 -45.04 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -116.58 -40.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.38 28.72 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 40.2 mtt-85 -71.65 176.98 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.78 130.38 6.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.0 m-85 -133.34 127.28 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.8 m -62.01 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.1 122.41 37.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.54 -49.18 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -47.67 -55.94 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -41.13 -62.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' CE1' ' A' ' 22' ' ' PHE . 29.1 tp -46.46 -57.26 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -42.97 -58.53 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -56.92 -34.94 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.575 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.4 t60 -66.39 -54.58 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -41.59 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.2 mtp180 -54.55 -43.62 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 31' ' ' HIS . 22.0 pt -46.22 -29.23 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.3 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.2 m-70 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.731 0.301 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -108.44 142.09 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -74.27 162.98 28.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -110.37 -26.15 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.0 mm-40 -72.0 -45.75 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.71 -41.97 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.06 31.99 4.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -77.33 169.19 18.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.55 133.91 9.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -134.46 139.67 45.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.1 m -72.05 -45.7 59.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -95.35 131.53 41.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 4.3 tppp? -52.56 -40.96 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -56.3 -46.24 79.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -48.76 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -49.94 -57.22 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -41.56 -62.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 33' ' ' ARG . 45.0 tt0 -57.98 -37.4 74.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' HD12 ' A' ' 34' ' ' ILE . 4.4 t60 -60.02 -41.51 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -50.51 -17.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 30' ' ' GLN . 87.2 mtt180 -62.0 -31.52 71.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 31' ' ' HIS . 14.2 pt -62.43 -8.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.3 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.407 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 56.1 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.734 0.302 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -108.98 140.84 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.95 163.57 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -110.37 -27.65 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.2 mm-40 -68.05 -44.39 76.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.64 -41.4 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.35 32.35 4.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -76.69 170.32 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.5 130.41 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 71.2 m-85 -132.3 127.14 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -55.31 -57.67 10.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -86.95 148.09 25.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 33.8 tptt -63.28 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.8 p -57.66 -36.84 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -54.34 -55.15 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.3 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -48.74 -54.95 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -34.89 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD13 ' A' ' 34' ' ' ILE . 7.0 t60 -63.22 -49.9 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.61 -25.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -50.04 -18.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 31' ' ' HIS . 20.1 pt -80.9 -31.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.5 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.75 138.84 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 t -73.33 159.97 32.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -111.82 -20.19 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.3 mm-40 -73.55 -34.81 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -131.32 -40.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 114.38 4.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.72 135.72 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.5 m -71.91 -49.56 36.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' CE1' ' A' ' 27' ' ' HIS . 83.5 mt -93.03 135.8 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -52.9 -42.59 65.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -56.8 -51.73 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CE1' HD11 ' A' ' 24' ' ' LEU . 15.0 m170 -39.48 -64.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -51.72 -53.28 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -41.77 -60.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -59.58 -36.06 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HD12 ' A' ' 34' ' ' ILE . 6.3 t60 -61.02 -51.01 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -42.25 -26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.68 -44.13 73.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' CE1' ' A' ' 31' ' ' HIS . 12.8 pt -49.64 -20.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 29.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.744 0.307 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -98.07 134.37 41.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 160.37 32.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -110.08 -25.2 10.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.8 mm-40 -67.45 -39.55 85.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -125.47 -40.31 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 24.06 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -72.58 170.84 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.16 135.68 8.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -134.55 145.48 48.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -71.92 -58.09 3.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.9 mt -87.96 138.77 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 3.2 tppp? -53.39 -45.08 69.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -51.42 -46.98 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -49.33 -60.43 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 32.6 tp -56.18 -48.36 76.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -47.01 -54.0 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.12 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.2 t60 -66.76 -50.41 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -44.25 -24.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -56.61 -41.95 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 31' ' ' HIS . 15.5 pt -46.68 -29.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.9 tt0 -91.48 146.71 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.71 158.16 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -110.36 -20.55 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.3 mm-40 -73.1 -38.75 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.17 -38.75 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.3 51.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 28.2 mtt180 -95.61 175.75 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.03 113.05 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 67.9 m-85 -119.13 119.48 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.5 m -54.86 -52.2 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -90.01 149.18 22.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -56.01 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -43.25 -42.58 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.6 -47.45 86.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -54.23 -59.89 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 42.5 tp60 -60.26 -15.55 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CE1' HD11 ' A' ' 34' ' ' ILE . 7.5 t60 -84.54 -48.04 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -51.89 -25.1 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 20.3 mmm-85 -51.89 -22.88 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' A' ' 31' ' ' HIS . 8.5 pt -70.5 -34.93 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.491 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 18.8 m-70 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -127.52 143.08 51.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -82.15 150.74 27.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.79 -16.73 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mm-40 -72.8 -41.1 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -121.49 -38.11 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.38 36.85 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -91.55 171.96 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 135.22 8.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.98 137.81 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 p -65.81 -56.61 11.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.42 144.53 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 18.5 tptp -59.96 -43.26 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -52.36 -43.92 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -53.12 -59.75 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 13' ' ' HIS . 18.8 tp -57.27 -47.0 82.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -52.82 -55.35 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.87 -8.72 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.9 t60 -89.51 -40.95 12.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -57.02 -13.05 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 9.3 mmm180 -64.89 -16.54 63.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 31' ' ' HIS . 11.1 pt -77.03 -12.94 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.0 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.609 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 28.9 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.741 0.305 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -122.09 136.66 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 11.7 t -72.13 154.22 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -108.34 -18.28 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 47.1 mm-40 -74.52 -39.43 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -124.1 -39.27 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 52.53 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -98.58 172.24 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.08 120.8 3.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 87.5 m-85 -122.4 132.35 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.0 m -68.78 -49.7 56.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.24 132.01 40.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.609 ' CE ' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tppp? -46.43 -56.0 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 p -40.51 -56.05 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -40.46 -65.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 14.7 tp -48.52 -48.72 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.66 -54.05 43.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.7 tp60 -66.22 -7.35 17.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 34' ' ' ILE . 7.4 t60 -95.48 -46.17 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -51.98 -31.35 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 4.4 ptm180 -54.68 -22.44 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.3 pt -66.28 -24.42 33.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -111.16 142.41 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.54 160.06 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -110.56 -25.29 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.6 mm-40 -67.72 -40.87 84.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.76 -39.8 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.25 21.99 7.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -71.65 163.95 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.05 140.42 12.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -138.58 139.95 38.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.6 m -74.58 -49.36 22.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 27' ' ' HIS . 16.3 mt -94.45 120.14 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -38.67 -47.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -47.44 -51.99 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.476 ' CE1' HD13 ' A' ' 24' ' ' LEU . 54.1 m170 -45.9 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.86 -58.78 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -39.67 -56.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.81 -39.59 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.5 t60 -59.59 -41.62 90.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.68 -22.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -55.01 -41.45 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.83 -11.34 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.0 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 14.0 m-70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.51 138.96 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 t -71.28 161.94 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -110.27 -24.35 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.1 mm-40 -71.86 -42.17 67.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -121.22 -41.17 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.08 29.34 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -75.72 166.63 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.53 129.73 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 66.3 m-85 -131.21 119.96 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -56.3 -45.71 80.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 HD11 ' CE1' ' A' ' 27' ' ' HIS . 36.1 mt -91.18 136.52 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 15.8 tptm -58.39 -46.69 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 p -53.69 -48.75 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.413 ' CE1' HD11 ' A' ' 24' ' ' LEU . 36.1 m170 -45.98 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.7 -49.48 62.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -46.19 -54.7 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.43 -28.39 69.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 34' ' ' ILE . 7.5 t60 -69.34 -54.37 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -43.06 -23.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 27.0 mtp180 -54.22 -42.04 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 35' ' ' HIS . 21.3 pt -48.94 -29.38 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 34' ' ' ILE . 60.8 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.597 ' CE1' ' HG2' ' A' ' 25' ' ' LYS . 6.3 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.754 0.311 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -107.34 131.27 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.85 149.99 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -105.04 -15.81 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mm-40 -74.86 -40.2 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -122.41 -38.09 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.54 30.32 4.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 43.7 mtt180 -81.23 165.94 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.84 131.18 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -126.31 154.65 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.9 m -84.0 -40.82 17.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 34.1 mt -107.05 151.85 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 11.4 mmmt -58.75 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' LYS . 58.1 m -34.01 -42.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 59.9 m170 -57.21 -60.65 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 3.4 tp -66.74 -51.52 54.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -49.51 -39.18 33.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -81.31 -21.89 38.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' HD12 ' A' ' 34' ' ' ILE . 9.5 t60 -76.4 -44.16 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -49.48 -18.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -61.0 -34.24 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.548 HD12 ' CE1' ' A' ' 31' ' ' HIS . 10.7 pt -63.26 -9.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.2 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 21.1 m-70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -91.67 143.47 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.28 160.2 30.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -111.71 -21.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.6 mm-40 -75.23 -42.14 56.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -119.91 -40.15 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.22 34.15 4.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -81.68 165.88 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.76 126.34 6.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 65.6 m-85 -126.11 135.62 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 p -65.02 -57.65 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 27' ' ' HIS . 6.2 mp -84.7 150.25 25.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 38.2 tptt -69.9 -31.29 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -70.74 -24.21 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CE1' HD12 ' A' ' 24' ' ' LEU . 36.1 m170 -68.37 -56.29 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.8 tp -54.93 -44.76 74.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -55.19 -58.82 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.418 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 4.7 tp60 -57.42 -18.36 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 10.6 t60 -86.2 -41.86 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.74 -16.06 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 17.3 mmm180 -62.94 -12.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 pt -83.71 -26.89 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 80.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.538 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 39.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.742 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 15.3 tt0 -110.51 146.51 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 29.6 t -73.76 162.26 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -111.91 -21.26 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -75.84 -44.54 40.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.16 -38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 25.55 6.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 29.2 mtt180 -77.52 173.55 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.4 145.82 17.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -144.56 124.55 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.4 p -54.35 -53.76 49.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.3 mp -86.5 139.79 30.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 20.0 tptm -63.92 -34.33 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -63.82 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 24' ' ' LEU . 21.7 m170 -54.75 -63.04 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.9 tp -48.2 -59.72 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LEU . 59.2 t-20 -35.63 -56.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.12 -37.61 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.1 t60 -62.2 -45.92 91.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -49.12 -18.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -58.61 -32.61 69.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 31' ' ' HIS . 16.0 pt -62.53 -9.83 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.6 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.72 0.295 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.9 tt0 -125.84 151.38 46.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 21.9 t -82.51 162.79 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -115.76 -18.65 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -77.56 -40.32 42.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.44 -34.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.57 10.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -73.38 164.28 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.49 132.27 8.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 73.6 m-85 -133.82 123.39 24.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 m -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.84 134.17 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -57.57 -37.33 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -61.08 -44.0 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -52.91 -59.3 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 17.0 tp -51.49 -46.43 63.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.1 -55.49 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.65 -10.45 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' HD12 ' A' ' 34' ' ' ILE . 13.1 t60 -89.28 -41.62 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.46 -11.7 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -64.04 -18.68 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 31' ' ' HIS . 2.5 pt -81.28 -28.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -76.23 80.22 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.65 -102.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p 38.73 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -73.67 80.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.15 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -101.96 173.67 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p -139.31 117.22 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -100.15 -32.66 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -145.53 152.21 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -53.75 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 33.2 m-70 -93.15 104.9 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.43 145.25 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' HB2' ' CD1' ' A' ' 28' ' ' LEU . 48.5 t -89.75 149.47 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -104.51 -19.31 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.5 mm-40 -68.07 -41.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -123.42 -40.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 32.28 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.9 170.15 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.42 140.2 11.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' CE1' HD11 ' A' ' 28' ' ' LEU . 80.4 m-85 -139.75 140.22 36.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.441 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 21.8 m -74.58 -46.97 35.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' LYS . 36.1 mt -96.35 118.0 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' N ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -36.34 -52.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -43.97 -53.76 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -40.77 -65.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 31' ' ' HIS . 63.2 tp -52.17 -56.73 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 22.9 t-20 -37.46 -51.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.93 -33.94 76.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' HD12 ' A' ' 34' ' ' ILE . 6.6 t60 -67.44 -54.38 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -43.28 -30.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -46.67 -39.74 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD12 ' CE1' ' A' ' 31' ' ' HIS . 20.3 pt -51.72 -36.41 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.9 m-70 -81.65 -33.92 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -128.2 119.6 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.7 -133.65 7.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 mt-10 -119.37 55.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 20.8 mtmm 36.88 53.49 2.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.77 153.66 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.332 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m -88.28 117.09 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.85 165.35 15.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.68 2.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -75.21 107.19 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 t -47.85 169.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.521 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 m -158.72 165.55 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -96.08 149.41 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.82 104.79 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -117.42 160.93 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -89.45 91.5 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.78 85.01 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -85.09 -60.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -143.23 139.47 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p -141.02 114.43 8.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -114.93 149.08 37.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -37.46 -51.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -123.59 125.22 44.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -117.28 140.86 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 t -76.32 164.53 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -115.53 -19.81 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -76.58 -41.49 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -121.1 -37.57 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 32.21 5.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -79.38 174.91 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.86 129.86 5.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CE1' HD12 ' A' ' 28' ' ' LEU . 27.5 m-85 -131.8 129.16 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.2 p -62.3 -49.04 77.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.457 HD11 ' CE1' ' A' ' 27' ' ' HIS . 53.5 mt -91.71 132.34 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -50.8 -47.78 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -49.49 -52.78 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.457 ' CE1' HD11 ' A' ' 24' ' ' LEU . 48.6 m170 -40.81 -63.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' CE1' ' A' ' 22' ' ' PHE . 40.1 tp -54.32 -44.47 72.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -53.94 -49.7 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.36 -7.08 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CE1' HD13 ' A' ' 34' ' ' ILE . 10.9 t60 -90.82 -34.77 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.59 -10.99 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -65.13 -15.39 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.558 HD13 ' CE1' ' A' ' 31' ' ' HIS . 4.8 pt -82.9 -27.76 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 -93.01 -32.75 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 t -70.54 134.97 48.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.71 -174.3 39.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -71.82 117.69 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.469 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 ttpp -150.49 140.61 14.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.526 0.679 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.469 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.77 152.14 69.21 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.653 2.235 . . . . 0.0 112.389 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 t 52.16 41.43 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.49 -65.42 1.79 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.62 49.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -150.18 137.82 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' GLY . 30.6 t -41.97 -53.2 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -129.76 160.93 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -73.12 159.84 32.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.7 -156.8 7.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -146.2 107.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -98.79 90.8 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.65 -43.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -99.96 92.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -66.4 -61.62 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.4 p -93.19 89.66 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 170.98 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 t -119.99 -67.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -106.94 145.94 31.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -128.43 138.18 52.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.2 t -75.8 153.56 36.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -105.82 -20.22 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.1 mm-40 -73.89 -44.72 54.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.88 -38.89 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.71 16.09 11.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -70.95 -177.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.55 145.15 13.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -140.13 159.89 41.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.46 -61.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.525 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -75.86 142.79 42.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -60.83 -39.8 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.525 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 46.3 m170 -47.9 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.17 -49.42 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -50.53 -48.88 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.2 -31.88 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD11 ' A' ' 34' ' ' ILE . 7.8 t60 -69.76 -36.15 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.6 -11.04 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -67.9 -18.92 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD11 ' CE1' ' A' ' 31' ' ' HIS . 12.1 pt -77.85 -9.4 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.4 m-70 -111.6 -30.02 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.8 p -50.69 129.15 22.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.55 134.5 41.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -117.17 86.13 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 14.2 pttp 37.38 52.04 2.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -177.44 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -104.13 101.35 11.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.18 79.12 1.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -47.84 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t 39.76 44.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -77.6 -55.58 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.456 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -133.87 142.64 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -161.84 160.41 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 94.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -47.04 129.76 12.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -72.23 86.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.804 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.73 132.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -98.9 84.46 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -173.38 123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -107.74 131.85 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 156.27 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -37.94 -58.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.419 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.8 m-70 -109.14 102.04 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -100.71 135.12 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -65.4 164.1 14.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -111.89 -23.69 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -75.23 -41.48 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.92 -38.39 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.76 23.35 9.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -70.6 159.64 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.22 125.44 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 98.6 m-85 -125.16 127.67 47.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.6 m -65.27 -47.91 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 27' ' ' HIS . 47.9 mt -95.5 124.87 39.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' HE2' ' CE1' ' A' ' 13' ' ' HIS . 12.6 tppt? -45.71 -47.34 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -48.18 -45.09 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' CE1' HD11 ' A' ' 24' ' ' LEU . 64.2 m170 -53.77 -60.67 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.69 -43.65 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -56.89 -65.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -59.14 -14.55 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CE1' HD13 ' A' ' 34' ' ' ILE . 9.8 t60 -80.82 -41.92 22.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.22 -24.73 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 14.3 mmm180 -53.19 -16.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.483 HD11 ' CE1' ' A' ' 35' ' ' HIS . 10.5 pt -76.86 -38.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.9 m-70 -79.93 -28.44 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -113.92 37.65 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.14 -113.82 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.0 tm-20 -68.54 159.4 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 24.3 pttt 37.29 54.26 3.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -178.42 2.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -80.22 164.83 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.57 70.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 135.15 29.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -148.09 156.05 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.2 p -52.54 153.4 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.455 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -149.81 143.35 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.75 167.36 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.19 91.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -67.65 82.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.3 p -113.85 84.38 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.99 40.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -83.22 124.7 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 t -167.19 111.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -90.85 85.43 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 143.78 25.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -68.99 -67.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.3 121.04 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -123.79 145.34 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.8 161.6 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -114.34 -17.68 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.53 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.4 mm-40 -80.42 -41.09 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.96 -36.03 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.94 25.35 8.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.06 163.86 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.65 143.18 15.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 57.5 m-85 -143.11 125.48 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -60.16 -48.24 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.48 127.69 37.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -51.14 23.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -46.51 -54.88 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -41.22 -65.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB2' ' CD1' ' A' ' 22' ' ' PHE . 21.6 tp -52.19 -59.02 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -40.91 -50.79 3.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -69.11 -29.28 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.514 ' CE1' HD12 ' A' ' 34' ' ' ILE . 6.3 t60 -69.98 -39.23 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -54.53 -14.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -62.98 -30.93 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.514 HD12 ' CE1' ' A' ' 31' ' ' HIS . 10.2 pt -66.87 -7.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.53 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.0 m-70 -113.82 -17.57 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.0 p -93.61 47.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.198 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.47 -164.24 9.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -70.84 151.49 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -163.12 144.56 7.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 136.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.2 m -127.36 167.91 15.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.31 -94.83 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.96 40.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.373 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 p -120.47 163.15 18.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -134.12 125.11 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.542 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -53.03 144.75 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -83.79 -52.5 6.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 136.84 -79.61 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 9.7 t -35.05 116.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -116.26 42.51 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.31 154.79 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -45.63 119.3 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -107.76 130.44 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.3 t -84.7 46.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -77.53 160.32 28.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -109.96 -57.19 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.561 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 44.3 m-70 -88.0 122.62 31.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.1 142.33 51.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.21 160.66 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -110.36 -23.04 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 45.7 mm-40 -73.23 -41.52 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -120.05 -40.56 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.77 41.4 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -89.0 163.66 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.76 128.27 8.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 97.2 m-85 -129.98 129.58 43.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.437 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 31.3 m -68.62 -48.03 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CE1' ' A' ' 27' ' ' HIS . 84.7 mt -90.43 119.08 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 42.1 tptt -40.93 -44.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 t -51.96 -54.73 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.473 ' CE1' HD11 ' A' ' 24' ' ' LEU . 42.8 m170 -40.24 -62.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.31 -59.68 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -42.73 -55.84 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.6 -29.18 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.61 -45.43 75.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -48.32 -20.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.69 -33.92 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 pt -62.84 -8.95 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.3 m-70 -110.55 -32.37 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 p -49.53 123.77 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.58 -163.2 29.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.0 mm-40 -119.91 176.74 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 1.1 mmpt? 34.71 52.98 1.45 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.8 108.2 2.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.4 p -49.75 128.15 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.91 -93.74 1.34 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 85.26 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -90.65 -51.07 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.9 m -139.19 165.75 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -159.02 131.14 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -113.52 92.36 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.59 88.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -44.08 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -77.46 85.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.6 170.67 44.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m 40.3 44.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -116.15 43.21 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.3 p -119.82 39.26 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' ' CA ' ' A' ' 21' ' ' GLY . 1.7 tppt? -82.62 155.32 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -87.42 -46.6 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -113.06 111.81 22.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -113.25 140.39 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.78 164.67 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -110.62 -27.48 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.4 mm-40 -71.5 -45.04 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -116.58 -40.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.38 28.72 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 40.2 mtt-85 -71.65 176.98 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . . . -127.78 130.38 6.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.0 m-85 -133.34 127.28 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.8 m -62.01 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.1 122.41 37.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.54 -49.18 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -47.67 -55.94 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -41.13 -62.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD13 ' CE1' ' A' ' 22' ' ' PHE . 29.1 tp -46.46 -57.26 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -42.97 -58.53 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -56.92 -34.94 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.575 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.4 t60 -66.39 -54.58 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -41.59 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HA ' ' CG2' ' A' ' 36' ' ' THR . 46.2 mtp180 -54.55 -43.62 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.575 HD11 ' CE1' ' A' ' 31' ' ' HIS . 22.0 pt -46.22 -29.23 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.3 m-70 -84.75 -34.74 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 33' ' ' ARG . 12.2 t -97.15 173.33 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.0 -78.28 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' LYS . 28.3 mt-10 -117.15 95.12 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -37.01 145.58 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -172.63 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.307 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m 63.98 45.61 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.24 62.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.73 30.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.8 p 41.82 42.52 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -106.17 132.69 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.492 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -86.82 41.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -87.28 171.37 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.61 138.58 8.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -68.58 -56.72 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -134.73 82.38 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 -54.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -64.31 -43.62 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -131.0 89.27 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 85.76 4.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.433 ' HG2' ' CA ' ' A' ' 21' ' ' GLY . 9.1 tptp -111.39 142.35 43.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -69.22 -48.22 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.2 m-70 -112.69 94.22 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -108.44 142.09 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 t -74.27 162.98 28.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -110.37 -26.15 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.0 mm-40 -72.0 -45.75 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.71 -41.97 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.06 31.99 4.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -77.33 169.19 18.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . . . -122.55 133.91 9.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -134.46 139.67 45.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.1 m -72.05 -45.7 59.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -95.35 131.53 41.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 4.3 tppp? -52.56 -40.96 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -56.3 -46.24 79.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -48.76 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.7 tp -49.94 -57.22 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -41.56 -62.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 33' ' ' ARG . 45.0 tt0 -57.98 -37.4 74.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' HD12 ' A' ' 34' ' ' ILE . 4.4 t60 -60.02 -41.51 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -50.51 -17.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 30' ' ' GLN . 87.2 mtt180 -62.0 -31.52 71.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 HD12 ' CE1' ' A' ' 31' ' ' HIS . 14.2 pt -62.43 -8.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.3 m-70 -113.53 19.42 16.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -109.43 -19.49 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.34 -72.44 0.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -51.84 103.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -109.87 72.75 0.64 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.56 0.695 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.36 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -163.58 172.46 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.33 141.71 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -75.24 157.21 34.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m 63.6 42.17 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.491 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.18 149.3 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -53.44 101.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.59 157.04 21.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -71.08 -44.4 65.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -40.38 139.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.98 -141.8 7.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -128.19 104.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.354 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 p -149.41 169.61 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.14 152.61 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -110.58 153.15 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -70.55 -55.73 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.407 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 56.1 m-70 -109.93 107.9 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -108.98 140.84 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.95 163.57 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -110.37 -27.65 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.521 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.2 mm-40 -68.05 -44.39 76.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.64 -41.4 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.35 32.35 4.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -76.69 170.32 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.5 130.41 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 71.2 m-85 -132.3 127.14 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -55.31 -57.67 10.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -86.95 148.09 25.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 33.8 tptt -63.28 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.8 p -57.66 -36.84 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -54.34 -55.15 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.3 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -48.74 -54.95 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -34.89 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.567 ' CE1' HD13 ' A' ' 34' ' ' ILE . 7.0 t60 -63.22 -49.9 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.61 -25.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -50.04 -18.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 31' ' ' HIS . 20.1 pt -80.9 -31.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.521 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.0 m-70 -86.52 -33.18 20.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 HG21 ' N ' ' A' ' 37' ' ' GLY . 9.9 t -94.39 -42.94 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' N ' HG21 ' A' ' 36' ' ' THR . . . 45.32 -171.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.539 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -94.37 87.79 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -145.73 158.86 48.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.524 0.678 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.85 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -50.06 -56.32 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.47 -75.15 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.3 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' PRO . 23.8 t -34.42 -48.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -133.8 140.8 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 3' ' ' SER . 27.6 m -94.27 -52.47 4.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' SER . 56.1 p 35.48 42.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.94 86.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -135.29 107.59 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -87.73 174.25 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.34 63.48 1.08 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.6 p -137.8 115.5 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p 49.65 43.82 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 45.6 p -117.65 108.41 15.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 12' ' ' SER . 12.1 ttmt -119.28 168.14 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LYS . 39.5 t -34.1 -58.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.5 m-70 -98.09 82.75 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.75 138.84 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 t -73.33 159.97 32.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -111.82 -20.19 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.3 mm-40 -73.55 -34.81 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -131.32 -40.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 114.38 4.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.72 135.72 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.5 m -71.91 -49.56 36.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' CE1' ' A' ' 27' ' ' HIS . 83.5 mt -93.03 135.8 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -52.9 -42.59 65.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -56.8 -51.73 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CE1' HD11 ' A' ' 24' ' ' LEU . 15.0 m170 -39.48 -64.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -51.72 -53.28 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -41.77 -60.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -59.58 -36.06 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.511 ' CE1' HD12 ' A' ' 34' ' ' ILE . 6.3 t60 -61.02 -51.01 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -42.25 -26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.68 -44.13 73.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' CE1' ' A' ' 31' ' ' HIS . 12.8 pt -49.64 -20.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.3 m-70 -98.42 -25.08 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -42.68 -38.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' N ' ' CG2' ' A' ' 36' ' ' THR . . . 82.51 158.63 24.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' LYS . 32.3 mp0 -95.4 138.59 32.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 ttmm 37.32 54.7 3.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.8 1.68 4.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -54.37 123.73 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.99 169.06 0.83 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 104.8 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.315 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -129.47 172.98 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.2 p -74.29 132.74 42.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -96.28 84.15 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -81.94 97.81 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.36 140.76 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -107.91 122.74 47.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -172.3 140.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.32 167.71 29.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.5 p -95.83 44.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -64.05 157.81 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 p -153.84 138.62 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' SER . 23.8 tttt -109.44 161.86 14.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' LYS . 71.3 m -34.56 -57.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 29.5 m-70 -120.73 102.98 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -98.07 134.37 41.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 160.37 32.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -110.08 -25.2 10.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.8 mm-40 -67.45 -39.55 85.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -125.47 -40.31 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 24.06 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -72.58 170.84 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.16 135.68 8.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -134.55 145.48 48.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -71.92 -58.09 3.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.9 mt -87.96 138.77 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 3.2 tppp? -53.39 -45.08 69.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -51.42 -46.98 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -49.33 -60.43 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 32.6 tp -56.18 -48.36 76.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -47.01 -54.0 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.12 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.559 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.2 t60 -66.76 -50.41 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -44.25 -24.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -56.61 -41.95 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' CE1' ' A' ' 31' ' ' HIS . 15.5 pt -46.68 -29.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 28.8 m-70 -96.78 -31.97 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.5 m -54.68 101.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.44 110.37 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -115.06 150.48 35.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -124.58 81.73 59.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 175.78 7.67 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -83.62 168.73 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.5 126.42 35.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -17.36 37.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m 59.32 43.16 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.0 m -65.54 -42.76 91.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.498 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -150.85 152.77 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -111.46 169.91 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.14 122.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -157.32 133.28 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -118.2 149.52 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 126.38 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.1 t -109.61 41.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.39 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -76.49 127.38 32.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.3 m -88.05 144.87 26.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 179.08 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.1 p -133.96 -44.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.1 m-70 -98.82 81.88 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.9 tt0 -91.48 146.71 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.71 158.16 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -110.36 -20.55 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.3 mm-40 -73.1 -38.75 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.17 -38.75 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.3 51.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 28.2 mtt180 -95.61 175.75 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.03 113.05 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 67.9 m-85 -119.13 119.48 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.5 m -54.86 -52.2 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.0 mt -90.01 149.18 22.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -56.01 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -43.25 -42.58 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.1 tp -60.6 -47.45 86.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -54.23 -59.89 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.42 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 42.5 tp60 -60.26 -15.55 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.492 ' CE1' HD11 ' A' ' 34' ' ' ILE . 7.5 t60 -84.54 -48.04 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -51.89 -25.1 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 20.3 mmm-85 -51.89 -22.88 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' A' ' 31' ' ' HIS . 8.5 pt -70.5 -34.93 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.555 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -84.64 23.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -73.67 -33.94 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.4 -103.22 0.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.64 145.03 34.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -105.71 128.18 26.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.67 63.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.1 m -89.76 124.64 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.84 158.09 23.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.29 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.0 m -142.9 152.7 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' SER . 52.3 p 34.4 44.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.496 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -94.21 149.85 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 p -100.59 93.53 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.73 -137.89 1.73 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -104.78 -50.0 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -44.65 124.84 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 168.83 25.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 t -158.71 131.2 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' THR . 64.9 p -75.07 -49.65 19.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' SER . 33.1 m -34.56 113.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 12' ' ' SER . 9.6 ttpp -140.68 145.02 35.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 3.5 t -107.96 -42.67 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.491 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 18.8 m-70 -124.34 143.13 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -127.52 143.08 51.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -82.15 150.74 27.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.79 -16.73 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mm-40 -72.8 -41.1 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -121.49 -38.11 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.38 36.85 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -91.55 171.96 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 135.22 8.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.98 137.81 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 p -65.81 -56.61 11.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.42 144.53 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 18.5 tptp -59.96 -43.26 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -52.36 -43.92 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -53.12 -59.75 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 13' ' ' HIS . 18.8 tp -57.27 -47.0 82.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -52.82 -55.35 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.87 -8.72 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.505 ' CE1' HD11 ' A' ' 34' ' ' ILE . 5.9 t60 -89.51 -40.95 12.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -57.02 -13.05 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 9.3 mmm180 -64.89 -16.54 63.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.505 HD11 ' CE1' ' A' ' 31' ' ' HIS . 11.1 pt -77.03 -12.94 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.0 m-70 -114.07 -31.18 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 77.6 p -51.61 119.31 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.92 -142.73 17.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -76.53 147.39 37.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -113.09 100.76 52.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -6.11 17.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -54.52 151.99 7.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.08 -87.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.52 30.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.3 m -110.09 142.91 40.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' GLY . 59.9 p -141.08 175.23 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -98.59 -46.97 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -115.47 -60.9 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.98 -65.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -42.37 113.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -112.13 41.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -83.96 1.07 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.0 m -89.54 88.88 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' SER . 33.4 p -36.67 -54.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -117.1 171.08 8.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.09 163.93 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -90.45 -54.62 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.609 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 28.9 m-70 -109.14 125.58 52.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -122.09 136.66 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 11.7 t -72.13 154.22 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -108.34 -18.28 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 47.1 mm-40 -74.52 -39.43 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -124.1 -39.27 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 52.53 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -98.58 172.24 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.08 120.8 3.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 87.5 m-85 -122.4 132.35 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.0 m -68.78 -49.7 56.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.24 132.01 40.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.609 ' CE ' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tppp? -46.43 -56.0 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 p -40.51 -56.05 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -40.46 -65.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 14.7 tp -48.52 -48.72 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.66 -54.05 43.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.7 tp60 -66.22 -7.35 17.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' HD11 ' A' ' 34' ' ' ILE . 7.4 t60 -95.48 -46.17 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -51.98 -31.35 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 4.4 ptm180 -54.68 -22.44 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.527 HD11 ' CE1' ' A' ' 31' ' ' HIS . 7.3 pt -66.28 -24.42 33.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.3 m-70 -92.45 22.91 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.9 t -172.55 118.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.17 -76.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -99.69 132.02 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -110.06 77.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -28.14 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.1 t -172.36 118.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.67 -175.75 47.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -91.28 161.66 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.5 m -103.35 170.19 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.467 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 145.77 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -160.46 171.21 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.89 176.91 26.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -128.74 42.55 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -90.49 44.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.64 51.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.4 t -105.03 37.88 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 p -92.59 46.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.5 t -96.96 40.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.33 148.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -88.32 -56.64 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -109.24 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -111.16 142.41 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.54 160.06 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -110.56 -25.29 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.6 mm-40 -67.72 -40.87 84.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.76 -39.8 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.25 21.99 7.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -71.65 163.95 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.05 140.42 12.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -138.58 139.95 38.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.6 m -74.58 -49.36 22.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 27' ' ' HIS . 16.3 mt -94.45 120.14 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.2 tptm -38.67 -47.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -47.44 -51.99 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.476 ' CE1' HD13 ' A' ' 24' ' ' LEU . 54.1 m170 -45.9 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.86 -58.78 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -39.67 -56.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.81 -39.59 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.5 t60 -59.59 -41.62 90.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.68 -22.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -55.01 -41.45 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.83 -11.34 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.0 m-70 -111.19 -27.28 8.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -60.85 151.47 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 75.99 0.58 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -130.37 164.89 23.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -155.09 133.62 7.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.23 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.39 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -151.25 117.96 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.49 84.23 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.44 28.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 58.88 43.29 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -171.82 162.1 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.498 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -113.84 42.12 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 p -140.9 125.66 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.92 49.36 6.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -129.33 82.01 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -126.96 85.26 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.49 65.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -134.49 -45.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -99.7 127.2 45.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -113.92 155.49 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -148.86 144.27 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 18.1 t -37.76 -47.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.455 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 14.0 m-70 -124.57 99.1 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.51 138.96 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 t -71.28 161.94 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -110.27 -24.35 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.553 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.1 mm-40 -71.86 -42.17 67.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -121.22 -41.17 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.08 29.34 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -75.72 166.63 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.53 129.73 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 66.3 m-85 -131.21 119.96 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -56.3 -45.71 80.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 HD11 ' CE1' ' A' ' 27' ' ' HIS . 36.1 mt -91.18 136.52 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 15.8 tptm -58.39 -46.69 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 p -53.69 -48.75 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.413 ' CE1' HD11 ' A' ' 24' ' ' LEU . 36.1 m170 -45.98 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.7 -49.48 62.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -46.19 -54.7 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.43 -28.39 69.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.569 ' CE1' HD13 ' A' ' 34' ' ' ILE . 7.5 t60 -69.34 -54.37 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -43.06 -23.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 27.0 mtp180 -54.22 -42.04 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' A' ' 35' ' ' HIS . 21.3 pt -48.94 -29.38 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' HD11 ' A' ' 34' ' ' ILE . 60.8 m-70 -94.6 -33.15 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -58.56 121.91 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.74 97.72 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -89.39 81.64 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -128.67 75.91 79.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.66 33.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -106.59 106.67 17.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.78 142.78 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 158.66 56.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.333 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.1 t -159.79 142.91 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -82.65 141.85 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -103.83 42.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -145.96 158.92 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.56 -78.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -153.68 106.08 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -121.09 84.29 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 179.65 30.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 p -112.88 128.31 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -118.4 150.87 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.0 p -84.45 45.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 9.0 tppt? -102.09 137.5 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -81.38 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.597 ' CE1' ' HG2' ' A' ' 25' ' ' LYS . 6.3 m-70 -68.27 81.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -107.34 131.27 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.85 149.99 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -105.04 -15.81 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.568 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mm-40 -74.86 -40.2 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -122.41 -38.09 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.54 30.32 4.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 43.7 mtt180 -81.23 165.94 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.84 131.18 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 75.4 m-85 -126.31 154.65 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.9 m -84.0 -40.82 17.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 34.1 mt -107.05 151.85 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 11.4 mmmt -58.75 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' LYS . 58.1 m -34.01 -42.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.486 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 59.9 m170 -57.21 -60.65 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 3.4 tp -66.74 -51.52 54.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -49.51 -39.18 33.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -81.31 -21.89 38.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CE1' HD12 ' A' ' 34' ' ' ILE . 9.5 t60 -76.4 -44.16 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -49.48 -18.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -61.0 -34.24 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.548 HD12 ' CE1' ' A' ' 31' ' ' HIS . 10.7 pt -63.26 -9.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.2 m-70 -114.92 20.01 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -126.0 -42.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.94 -38.59 0.53 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.419 ' CD ' ' HD3' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -66.12 116.42 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.881 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -115.0 83.08 9.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD3' ' CD ' ' A' ' 38' ' ' GLU . 54.3 Cg_endo -69.7 -48.14 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m 41.41 46.21 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.35 -76.22 0.26 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.78 0.06 6.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.746 2.297 . . . . 0.0 112.323 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . 26.6 m 34.2 42.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -91.25 175.32 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.469 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -127.02 90.39 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -84.59 42.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.99 124.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -99.52 -62.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -120.88 88.2 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.71 -64.43 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m -58.54 113.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -100.74 146.95 26.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.2 t -120.17 144.58 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' SER . 14.0 tptt -126.21 159.94 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' LYS . 50.2 m -36.28 -53.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 21.1 m-70 -100.97 81.85 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -91.67 143.47 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.28 160.2 30.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -111.71 -21.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.6 mm-40 -75.23 -42.14 56.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -119.91 -40.15 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.22 34.15 4.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -81.68 165.88 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.76 126.34 6.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 65.6 m-85 -126.11 135.62 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 p -65.02 -57.65 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 HD12 ' CE1' ' A' ' 27' ' ' HIS . 6.2 mp -84.7 150.25 25.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 38.2 tptt -69.9 -31.29 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -70.74 -24.21 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CE1' HD12 ' A' ' 24' ' ' LEU . 36.1 m170 -68.37 -56.29 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 ' CE1' ' A' ' 22' ' ' PHE . 21.8 tp -54.93 -44.76 74.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -55.19 -58.82 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.418 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 4.7 tp60 -57.42 -18.36 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.493 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 10.6 t60 -86.2 -41.86 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.74 -16.06 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 17.3 mmm180 -62.94 -12.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 pt -83.71 -26.89 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 80.8 m-70 -87.38 12.39 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -158.06 135.04 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.37 -142.26 4.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -122.16 12.21 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.45 132.09 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 136.9 34.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -100.88 -41.66 6.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.95 -88.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.5 8.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p 45.09 43.72 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t 51.97 38.5 23.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.468 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -59.04 -44.55 91.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -60.39 165.54 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.83 -117.17 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 p -92.67 175.47 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -82.24 88.04 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.22 -151.27 48.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -114.51 167.19 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' THR . 68.6 p 38.51 41.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 38.3 m -37.76 -51.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 23' ' ' THR . 22.9 ttmt -128.95 165.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -34.82 -49.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.538 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 39.0 m-70 -130.43 114.49 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 15.3 tt0 -110.51 146.51 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.451 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 29.6 t -73.76 162.26 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -111.91 -21.26 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.54 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -75.84 -44.54 40.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.16 -38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 25.55 6.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 29.2 mtt180 -77.52 173.55 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.4 145.82 17.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -144.56 124.55 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.458 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 23.4 p -54.35 -53.76 49.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.3 mp -86.5 139.79 30.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 20.0 tptm -63.92 -34.33 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -63.82 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.533 ' CE1' HD13 ' A' ' 24' ' ' LEU . 21.7 m170 -54.75 -63.04 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.9 tp -48.2 -59.72 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LEU . 59.2 t-20 -35.63 -56.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.12 -37.61 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.1 t60 -62.2 -45.92 91.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -49.12 -18.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -58.61 -32.61 69.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 HD11 ' CE1' ' A' ' 31' ' ' HIS . 16.0 pt -62.53 -9.83 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.6 m-70 -112.44 -29.38 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.7 p -56.65 125.55 22.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.07 -162.84 36.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -165.42 119.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -46.92 134.43 8.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -67.88 -61.02 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.84 126.79 3.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.14 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -166.31 124.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 p -62.39 -53.3 56.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -70.46 84.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -168.7 132.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.15 -136.32 9.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -98.02 164.53 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -148.37 149.82 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -150.29 5.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -116.23 -44.59 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 m -131.49 -71.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 p -143.89 168.67 19.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 12' ' ' SER . 9.9 ttpp -138.72 143.09 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.427 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 17.4 m -119.17 -35.33 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -117.69 134.0 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.9 tt0 -125.84 151.38 46.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 21.9 t -82.51 162.79 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -115.76 -18.65 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -77.56 -40.32 42.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.44 -34.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.57 10.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mtt-85 -73.38 164.28 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.812 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.49 132.27 8.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 73.6 m-85 -133.82 123.39 24.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 m -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 mp -84.84 134.17 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -57.57 -37.33 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -61.08 -44.0 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -52.91 -59.3 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 17.0 tp -51.49 -46.43 63.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.1 -55.49 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.65 -10.45 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' CE1' HD12 ' A' ' 34' ' ' ILE . 13.1 t60 -89.28 -41.62 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.46 -11.7 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -64.04 -18.68 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 31' ' ' HIS . 2.5 pt -81.28 -28.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.6 m-70 -90.57 -29.5 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -68.24 -25.8 65.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.45 -39.73 84.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -88.99 177.33 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.39 103.79 15.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.62 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -126.73 88.41 2.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.67 167.99 16.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -3.28 11.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -79.84 101.9 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -74.32 176.63 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.43 145.25 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 28' ' ' LEU . 48.5 t -89.75 149.47 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -104.51 -19.31 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.5 mm-40 -68.07 -41.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -123.42 -40.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 32.28 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.9 170.15 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.42 140.2 11.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.4 m-85 -139.75 140.22 36.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -74.58 -46.97 35.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' LYS . 36.1 mt -96.35 118.0 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -36.34 -52.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -43.97 -53.76 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -40.77 -65.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 15' ' ' CYS . 63.2 tp -52.17 -56.73 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 22.9 t-20 -37.46 -51.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.93 -33.94 76.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.6 t60 -67.44 -54.38 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -43.28 -30.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -46.67 -39.74 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.3 pt -51.72 -36.41 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.9 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.308 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -117.28 140.86 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 t -76.32 164.53 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -115.53 -19.81 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -76.58 -41.49 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -121.1 -37.57 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 32.21 5.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -79.38 174.91 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.86 129.86 5.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.8 129.16 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.2 p -62.3 -49.04 77.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' A' ' 27' ' ' HIS . 53.5 mt -91.71 132.34 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -50.8 -47.78 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -49.49 -52.78 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -40.81 -63.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.32 -44.47 72.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -53.94 -49.7 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.36 -7.08 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -90.82 -34.77 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.59 -10.99 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -65.13 -15.39 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.8 pt -82.9 -27.76 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -128.43 138.18 52.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.2 t -75.8 153.56 36.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -105.82 -20.22 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.1 mm-40 -73.89 -44.72 54.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.88 -38.89 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.71 16.09 11.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -70.95 -177.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.55 145.15 13.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -140.13 159.89 41.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -82.46 -61.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -75.86 142.79 42.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -60.83 -39.8 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 46.3 m170 -47.9 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.17 -49.42 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -50.53 -48.88 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.2 -31.88 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.76 -36.15 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.6 -11.04 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -67.9 -18.92 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.1 pt -77.85 -9.4 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.8 m-70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -100.71 135.12 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -65.4 164.1 14.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -111.89 -23.69 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -75.23 -41.48 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.92 -38.39 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.76 23.35 9.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -70.6 159.64 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.22 125.44 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 98.6 m-85 -125.16 127.67 47.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.6 m -65.27 -47.91 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 27' ' ' HIS . 47.9 mt -95.5 124.87 39.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 13' ' ' HIS . 12.6 tppt? -45.71 -47.34 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -48.18 -45.09 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' HD12 ' A' ' 24' ' ' LEU . 64.2 m170 -53.77 -60.67 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.69 -43.65 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -56.89 -65.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -59.14 -14.55 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.8 t60 -80.82 -41.92 22.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.22 -24.73 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 14.3 mmm180 -53.19 -16.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.5 pt -76.86 -38.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.9 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB3' HD23 ' A' ' 28' ' ' LEU . 20.8 m-70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.74 0.305 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -123.79 145.34 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.8 161.6 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -114.34 -17.68 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.4 mm-40 -80.42 -41.09 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.96 -36.03 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.94 25.35 8.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.06 163.86 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.65 143.18 15.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 57.5 m-85 -143.11 125.48 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -60.16 -48.24 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.48 127.69 37.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -51.14 23.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -46.51 -54.88 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -41.22 -65.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 13' ' ' HIS . 21.6 tp -52.19 -59.02 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -40.91 -50.79 3.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -69.11 -29.28 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' HD11 ' A' ' 34' ' ' ILE . 6.3 t60 -69.98 -39.23 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -54.53 -14.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -62.98 -30.93 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.2 pt -66.87 -7.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.0 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.585 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 44.3 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.745 0.307 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.1 142.33 51.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.21 160.66 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -110.36 -23.04 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 45.7 mm-40 -73.23 -41.52 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -120.05 -40.56 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.77 41.4 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -89.0 163.66 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.76 128.27 8.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -129.98 129.58 43.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.3 m -68.62 -48.03 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' NE2' ' A' ' 27' ' ' HIS . 84.7 mt -90.43 119.08 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 42.1 tptt -40.93 -44.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 t -51.96 -54.73 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.418 ' NE2' HD12 ' A' ' 24' ' ' LEU . 4.6 m-70 -40.24 -62.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.31 -59.68 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -42.73 -55.84 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.6 -29.18 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.61 -45.43 75.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -48.32 -20.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.69 -33.92 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 pt -62.84 -8.95 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -113.25 140.39 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.78 164.67 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -110.62 -27.48 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 6.4 mm-40 -71.5 -45.04 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -116.58 -40.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.38 28.72 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 40.2 mtt-85 -71.65 176.98 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.78 130.38 6.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.0 m-85 -133.34 127.28 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.8 m -62.01 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.1 122.41 37.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.54 -49.18 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -47.67 -55.94 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -41.13 -62.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -46.46 -57.26 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -42.97 -58.53 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -56.92 -34.94 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 5.4 t60 -66.39 -54.58 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -41.59 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.2 mtp180 -54.55 -43.62 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.0 pt -46.22 -29.23 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 17' ' ' GLU . 24.6 m80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.424 ' C ' HD22 ' A' ' 28' ' ' LEU . 9.5 m80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.731 0.301 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -108.44 142.09 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HA ' HD11 ' A' ' 28' ' ' LEU . 16.7 t -74.27 162.98 28.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -110.37 -26.15 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.0 mm-40 -72.0 -45.75 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.71 -41.97 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.06 31.99 4.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -77.33 169.19 18.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.55 133.91 9.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -134.46 139.67 45.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.1 m -72.05 -45.7 59.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -95.35 131.53 41.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -52.56 -40.96 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -56.3 -46.24 79.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -48.76 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 15' ' ' CYS . 37.7 tp -49.94 -57.22 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -41.56 -62.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 33' ' ' ARG . 45.0 tt0 -57.98 -37.4 74.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -60.02 -41.51 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -50.51 -17.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 30' ' ' GLN . 87.2 mtt180 -62.0 -31.52 71.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' HIS . 14.2 pt -62.43 -8.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.3 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 56.1 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.734 0.302 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -108.98 140.84 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.95 163.57 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -110.37 -27.65 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.2 mm-40 -68.05 -44.39 76.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.64 -41.4 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.35 32.35 4.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -76.69 170.32 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.5 130.41 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 71.2 m-85 -132.3 127.14 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -55.31 -57.67 10.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -86.95 148.09 25.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 33.8 tptt -63.28 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.8 p -57.66 -36.84 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -54.34 -55.15 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.3 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -48.74 -54.95 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -34.89 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.0 t60 -63.22 -49.9 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.61 -25.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -50.04 -18.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.1 pt -80.9 -31.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.5 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.75 138.84 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 t -73.33 159.97 32.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -111.82 -20.19 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.3 mm-40 -73.55 -34.81 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -131.32 -40.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 114.38 4.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.72 135.72 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.5 m -71.91 -49.56 36.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CE1' ' A' ' 27' ' ' HIS . 83.5 mt -93.03 135.8 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -52.9 -42.59 65.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -56.8 -51.73 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' HD12 ' A' ' 24' ' ' LEU . 15.0 m170 -39.48 -64.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -51.72 -53.28 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -41.77 -60.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -59.58 -36.06 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.3 t60 -61.02 -51.01 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -42.25 -26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.68 -44.13 73.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.8 pt -49.64 -20.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 29.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.744 0.307 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -98.07 134.37 41.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 160.37 32.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -110.08 -25.2 10.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.8 mm-40 -67.45 -39.55 85.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -125.47 -40.31 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 24.06 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -72.58 170.84 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.16 135.68 8.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -134.55 145.48 48.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -71.92 -58.09 3.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 27' ' ' HIS . 29.9 mt -87.96 138.77 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 3.2 tppp? -53.39 -45.08 69.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -51.42 -46.98 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -49.33 -60.43 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 32.6 tp -56.18 -48.36 76.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -47.01 -54.0 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.12 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.2 t60 -66.76 -50.41 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -44.25 -24.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -56.61 -41.95 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 35' ' ' HIS . 15.5 pt -46.68 -29.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.706 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 62.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 5.8 tt0 -91.48 146.71 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.71 158.16 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -110.36 -20.55 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.3 mm-40 -73.1 -38.75 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.17 -38.75 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.3 51.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 28.2 mtt180 -95.61 175.75 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.03 113.05 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 67.9 m-85 -119.13 119.48 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.5 m -54.86 -52.2 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 27' ' ' HIS . 22.0 mt -90.01 149.18 22.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -62.45 -56.01 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -43.25 -42.58 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CE1' HD12 ' A' ' 24' ' ' LEU . 41.3 m170 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 24.1 tp -60.6 -47.45 86.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -54.23 -59.89 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 42.5 tp60 -60.26 -15.55 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.5 t60 -84.54 -48.04 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -51.89 -25.1 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 20.3 mmm-85 -51.89 -22.88 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -70.5 -34.93 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 18.8 m-70 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -127.52 143.08 51.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -82.15 150.74 27.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.79 -16.73 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mm-40 -72.8 -41.1 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -121.49 -38.11 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.38 36.85 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -91.55 171.96 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 135.22 8.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.98 137.81 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 p -65.81 -56.61 11.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' NE2' ' A' ' 27' ' ' HIS . 6.1 mp -88.42 144.53 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 18.5 tptp -59.96 -43.26 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -52.36 -43.92 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.533 ' NE2' HD13 ' A' ' 24' ' ' LEU . 7.4 m-70 -53.12 -59.75 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 13' ' ' HIS . 18.8 tp -57.27 -47.0 82.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -52.82 -55.35 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.87 -8.72 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.9 t60 -89.51 -40.95 12.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -57.02 -13.05 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 9.3 mmm180 -64.89 -16.54 63.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 35' ' ' HIS . 11.1 pt -77.03 -12.94 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.0 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 m80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.741 0.305 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -122.09 136.66 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 11.7 t -72.13 154.22 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -108.34 -18.28 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 47.1 mm-40 -74.52 -39.43 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -124.1 -39.27 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 52.53 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -98.58 172.24 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.08 120.8 3.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 87.5 m-85 -122.4 132.35 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.0 m -68.78 -49.7 56.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.24 132.01 40.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tppp? -46.43 -56.0 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 p -40.51 -56.05 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -40.46 -65.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 13' ' ' HIS . 14.7 tp -48.52 -48.72 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.66 -54.05 43.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.7 tp60 -66.22 -7.35 17.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.958 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.4 t60 -95.48 -46.17 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -51.98 -31.35 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 4.4 ptm180 -54.68 -22.44 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -66.28 -24.42 33.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 25' ' ' LYS . 36.2 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -111.16 142.41 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.54 160.06 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -110.56 -25.29 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.6 mm-40 -67.72 -40.87 84.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.76 -39.8 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.25 21.99 7.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -71.65 163.95 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.05 140.42 12.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -138.58 139.95 38.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.6 m -74.58 -49.36 22.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 27' ' ' HIS . 16.3 mt -94.45 120.14 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD2' ' ND1' ' A' ' 13' ' ' HIS . 13.2 tptm -38.67 -47.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -47.44 -51.99 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 24' ' ' LEU . 54.1 m170 -45.9 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.86 -58.78 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -39.67 -56.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.81 -39.59 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.5 t60 -59.59 -41.62 90.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.68 -22.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -55.01 -41.45 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.83 -11.34 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.0 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 m80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.51 138.96 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 t -71.28 161.94 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -110.27 -24.35 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.1 mm-40 -71.86 -42.17 67.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -121.22 -41.17 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.08 29.34 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -75.72 166.63 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.53 129.73 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 66.3 m-85 -131.21 119.96 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -56.3 -45.71 80.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' CE1' ' A' ' 27' ' ' HIS . 36.1 mt -91.18 136.52 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -58.39 -46.69 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 p -53.69 -48.75 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD12 ' A' ' 24' ' ' LEU . 36.1 m170 -45.98 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.7 -49.48 62.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -46.19 -54.7 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.43 -28.39 69.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 7.5 t60 -69.34 -54.37 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -43.06 -23.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 27.0 mtp180 -54.22 -42.04 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 35' ' ' HIS . 21.3 pt -48.94 -29.38 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.8 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.615 ' HB3' HD22 ' A' ' 28' ' ' LEU . 6.3 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.754 0.311 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -107.34 131.27 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.85 149.99 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -105.04 -15.81 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mm-40 -74.86 -40.2 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -122.41 -38.09 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.54 30.32 4.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 43.7 mtt180 -81.23 165.94 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.84 131.18 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 75.4 m-85 -126.31 154.65 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.9 m -84.0 -40.82 17.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 34.1 mt -107.05 151.85 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 11.4 mmmt -58.75 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' LYS . 58.1 m -34.01 -42.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 59.9 m170 -57.21 -60.65 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 13' ' ' HIS . 3.4 tp -66.74 -51.52 54.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -49.51 -39.18 33.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -81.31 -21.89 38.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' A' ' 20' ' ' ARG . 9.5 t60 -76.4 -44.16 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -49.48 -18.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -61.0 -34.24 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.7 pt -63.26 -9.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.2 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.506 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 21.1 m-70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -91.67 143.47 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.28 160.2 30.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -111.71 -21.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.6 mm-40 -75.23 -42.14 56.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -119.91 -40.15 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.22 34.15 4.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -81.68 165.88 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.76 126.34 6.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 65.6 m-85 -126.11 135.62 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 p -65.02 -57.65 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.2 mp -84.7 150.25 25.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 38.2 tptt -69.9 -31.29 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -70.74 -24.21 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 1.003 ' CE1' HD13 ' A' ' 24' ' ' LEU . 36.1 m170 -68.37 -56.29 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.93 -44.76 74.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -55.19 -58.82 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 4.7 tp60 -57.42 -18.36 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.6 t60 -86.2 -41.86 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.74 -16.06 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 17.3 mmm180 -62.94 -12.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.2 pt -83.71 -26.89 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 80.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 39.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.742 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 15.3 tt0 -110.51 146.51 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 29.6 t -73.76 162.26 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.91 -21.26 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -75.84 -44.54 40.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.16 -38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 25.55 6.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 29.2 mtt180 -77.52 173.55 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.4 145.82 17.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -144.56 124.55 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.536 ' OG1' HD12 ' A' ' 24' ' ' LEU . 23.4 p -54.35 -53.76 49.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.3 mp -86.5 139.79 30.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 20.0 tptm -63.92 -34.33 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -63.82 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' HD13 ' A' ' 24' ' ' LEU . 21.7 m170 -54.75 -63.04 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.9 tp -48.2 -59.72 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LEU . 59.2 t-20 -35.63 -56.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.12 -37.61 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.1 t60 -62.2 -45.92 91.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -49.12 -18.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -58.61 -32.61 69.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.0 pt -62.53 -9.83 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.6 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.72 0.295 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.9 tt0 -125.84 151.38 46.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 21.9 t -82.51 162.79 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -115.76 -18.65 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -77.56 -40.32 42.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.44 -34.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.57 10.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.9 mtt-85 -73.38 164.28 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.812 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.49 132.27 8.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 73.6 m-85 -133.82 123.39 24.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 m -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.4 mp -84.84 134.17 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -57.57 -37.33 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -61.08 -44.0 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 24' ' ' LEU . 38.8 m170 -52.91 -59.3 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 17.0 tp -51.49 -46.43 63.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.1 -55.49 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.65 -10.45 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.1 t60 -89.28 -41.62 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.46 -11.7 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -64.04 -18.68 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.5 pt -81.28 -28.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -76.23 80.22 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.65 -102.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p 38.73 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -73.67 80.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.15 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -101.96 173.67 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p -139.31 117.22 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -100.15 -32.66 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -145.53 152.21 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -53.75 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -93.15 104.9 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.43 145.25 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 28' ' ' LEU . 48.5 t -89.75 149.47 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -104.51 -19.31 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.5 mm-40 -68.07 -41.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -123.42 -40.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 32.28 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.9 170.15 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' C ' ' HD2' ' A' ' 11' ' ' LYS . . . -134.42 140.2 11.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 80.4 m-85 -139.75 140.22 36.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.449 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 21.8 m -74.58 -46.97 35.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' LYS . 36.1 mt -96.35 118.0 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -36.34 -52.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -43.97 -53.76 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -40.77 -65.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 15' ' ' CYS . 63.2 tp -52.17 -56.73 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 22.9 t-20 -37.46 -51.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.93 -33.94 76.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.6 t60 -67.44 -54.38 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -43.28 -30.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -46.67 -39.74 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.3 pt -51.72 -36.41 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.9 m-70 -81.65 -33.92 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 36' ' ' THR . 9.5 t -128.2 119.6 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.7 -133.65 7.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 mt-10 -119.37 55.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 20.8 mtmm 36.88 53.49 2.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.77 153.66 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.332 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m -88.28 117.09 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.85 165.35 15.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.68 2.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -75.21 107.19 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 t -47.85 169.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.521 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 m -158.72 165.55 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -96.08 149.41 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.82 104.79 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -117.42 160.93 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -89.45 91.5 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.78 85.01 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -85.09 -60.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -143.23 139.47 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p -141.02 114.43 8.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -114.93 149.08 37.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -37.46 -51.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -123.59 125.22 44.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -117.28 140.86 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 t -76.32 164.53 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -115.53 -19.81 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -76.58 -41.49 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -121.1 -37.57 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 32.21 5.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -79.38 174.91 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.86 129.86 5.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.8 129.16 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.2 p -62.3 -49.04 77.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' A' ' 27' ' ' HIS . 53.5 mt -91.71 132.34 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -50.8 -47.78 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -49.49 -52.78 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -40.81 -63.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.32 -44.47 72.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -53.94 -49.7 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.36 -7.08 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -90.82 -34.77 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.59 -10.99 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -65.13 -15.39 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.8 pt -82.9 -27.76 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 -93.01 -32.75 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 33' ' ' ARG . 1.4 t -70.54 134.97 48.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.71 -174.3 39.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -71.82 117.69 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 ttpp -150.49 140.61 14.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.526 0.679 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.77 152.14 69.21 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.653 2.235 . . . . 0.0 112.389 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 t 52.16 41.43 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.49 -65.42 1.79 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.62 49.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -150.18 137.82 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' GLY . 30.6 t -41.97 -53.2 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -129.76 160.93 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -73.12 159.84 32.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.7 -156.8 7.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -146.2 107.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -98.79 90.8 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.65 -43.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -99.96 92.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -66.4 -61.62 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.4 p -93.19 89.66 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 170.98 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 t -119.99 -67.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -106.94 145.94 31.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -128.43 138.18 52.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.2 t -75.8 153.56 36.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -105.82 -20.22 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.1 mm-40 -73.89 -44.72 54.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.88 -38.89 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.71 16.09 11.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -70.95 -177.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.55 145.15 13.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -140.13 159.89 41.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -82.46 -61.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -75.86 142.79 42.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -60.83 -39.8 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 46.3 m170 -47.9 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.17 -49.42 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -50.53 -48.88 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.2 -31.88 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.76 -36.15 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.6 -11.04 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -67.9 -18.92 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.1 pt -77.85 -9.4 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.4 m-70 -111.6 -30.02 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.8 p -50.69 129.15 22.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.55 134.5 41.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -117.17 86.13 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 14.2 pttp 37.38 52.04 2.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -177.44 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -104.13 101.35 11.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.18 79.12 1.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -47.84 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t 39.76 44.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -77.6 -55.58 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.456 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -133.87 142.64 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -161.84 160.41 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 94.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -47.04 129.76 12.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -72.23 86.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.804 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.73 132.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -98.9 84.46 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -173.38 123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -107.74 131.85 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 156.27 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -37.94 -58.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.8 m-70 -109.14 102.04 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -100.71 135.12 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -65.4 164.1 14.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -111.89 -23.69 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -75.23 -41.48 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.92 -38.39 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.76 23.35 9.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -70.6 159.64 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.22 125.44 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 98.6 m-85 -125.16 127.67 47.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.6 m -65.27 -47.91 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 27' ' ' HIS . 47.9 mt -95.5 124.87 39.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 13' ' ' HIS . 12.6 tppt? -45.71 -47.34 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -48.18 -45.09 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' HD12 ' A' ' 24' ' ' LEU . 64.2 m170 -53.77 -60.67 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.69 -43.65 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -56.89 -65.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -59.14 -14.55 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.8 t60 -80.82 -41.92 22.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.22 -24.73 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 14.3 mmm180 -53.19 -16.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.5 pt -76.86 -38.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.9 m-70 -79.93 -28.44 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -113.92 37.65 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.14 -113.82 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.0 tm-20 -68.54 159.4 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 24.3 pttt 37.29 54.26 3.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -178.42 2.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -80.22 164.83 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.57 70.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 135.15 29.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -148.09 156.05 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.2 p -52.54 153.4 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.455 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -149.81 143.35 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.75 167.36 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.19 91.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -67.65 82.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.3 p -113.85 84.38 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.99 40.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -83.22 124.7 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 t -167.19 111.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -90.85 85.43 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 143.78 25.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -68.99 -67.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB3' HD23 ' A' ' 28' ' ' LEU . 20.8 m-70 -101.3 121.04 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -123.79 145.34 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.8 161.6 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -114.34 -17.68 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.4 mm-40 -80.42 -41.09 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.96 -36.03 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.94 25.35 8.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.06 163.86 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.65 143.18 15.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 57.5 m-85 -143.11 125.48 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -60.16 -48.24 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.48 127.69 37.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -51.14 23.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -46.51 -54.88 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -41.22 -65.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 13' ' ' HIS . 21.6 tp -52.19 -59.02 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -40.91 -50.79 3.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -69.11 -29.28 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' HD11 ' A' ' 34' ' ' ILE . 6.3 t60 -69.98 -39.23 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 36' ' ' THR . 35.5 mt-30 -54.53 -14.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -62.98 -30.93 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.2 pt -66.87 -7.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.0 m-70 -113.82 -17.57 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 32' ' ' GLN . 16.0 p -93.61 47.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.198 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.47 -164.24 9.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -70.84 151.49 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -163.12 144.56 7.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 136.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.2 m -127.36 167.91 15.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.31 -94.83 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.96 40.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.373 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 p -120.47 163.15 18.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -134.12 125.11 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.542 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -53.03 144.75 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -83.79 -52.5 6.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 136.84 -79.61 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 9.7 t -35.05 116.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -116.26 42.51 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.31 154.79 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -45.63 119.3 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -107.76 130.44 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.444 ' O ' HG23 ' A' ' 10' ' ' THR . 11.3 t -84.7 46.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -77.53 160.32 28.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -109.96 -57.19 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.585 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 44.3 m-70 -88.0 122.62 31.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.1 142.33 51.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.21 160.66 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -110.36 -23.04 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 45.7 mm-40 -73.23 -41.52 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -120.05 -40.56 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.77 41.4 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -89.0 163.66 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.76 128.27 8.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 97.2 m-85 -129.98 129.58 43.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 31.3 m -68.62 -48.03 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD12 ' NE2' ' A' ' 27' ' ' HIS . 84.7 mt -90.43 119.08 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 42.1 tptt -40.93 -44.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 t -51.96 -54.73 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' NE2' HD12 ' A' ' 24' ' ' LEU . 4.6 m-70 -40.24 -62.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.31 -59.68 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -42.73 -55.84 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.6 -29.18 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.61 -45.43 75.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -48.32 -20.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.69 -33.92 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 pt -62.84 -8.95 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.3 m-70 -110.55 -32.37 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 p -49.53 123.77 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.58 -163.2 29.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.0 mm-40 -119.91 176.74 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 1.1 mmpt? 34.71 52.98 1.45 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.8 108.2 2.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.4 p -49.75 128.15 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.91 -93.74 1.34 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 85.26 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -90.65 -51.07 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.9 m -139.19 165.75 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -159.02 131.14 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -113.52 92.36 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.59 88.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -44.08 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -77.46 85.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.6 170.67 44.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m 40.3 44.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -116.15 43.21 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.3 p -119.82 39.26 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' CA ' ' A' ' 21' ' ' GLY . 1.7 tppt? -82.62 155.32 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -87.42 -46.6 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -113.06 111.81 22.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -113.25 140.39 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.78 164.67 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -110.62 -27.48 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.4 mm-40 -71.5 -45.04 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -116.58 -40.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.38 28.72 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 40.2 mtt-85 -71.65 176.98 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . . . -127.78 130.38 6.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.0 m-85 -133.34 127.28 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.8 m -62.01 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.1 122.41 37.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.54 -49.18 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -47.67 -55.94 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -41.13 -62.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -46.46 -57.26 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -42.97 -58.53 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -56.92 -34.94 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 5.4 t60 -66.39 -54.58 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -41.59 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.822 ' HA ' HG22 ' A' ' 36' ' ' THR . 46.2 mtp180 -54.55 -43.62 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.0 pt -46.22 -29.23 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.3 m-70 -84.75 -34.74 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 33' ' ' ARG . 12.2 t -97.15 173.33 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.0 -78.28 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' LYS . 28.3 mt-10 -117.15 95.12 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -37.01 145.58 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -172.63 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.307 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m 63.98 45.61 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.24 62.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.73 30.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.8 p 41.82 42.52 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -106.17 132.69 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.492 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -86.82 41.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -87.28 171.37 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.61 138.58 8.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -68.58 -56.72 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -134.73 82.38 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 -54.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -64.31 -43.62 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -131.0 89.27 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 85.76 4.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' ' CA ' ' A' ' 21' ' ' GLY . 9.1 tptp -111.39 142.35 43.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -69.22 -48.22 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.424 ' C ' HD22 ' A' ' 28' ' ' LEU . 9.5 m80 -112.69 94.22 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -108.44 142.09 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HA ' HD11 ' A' ' 28' ' ' LEU . 16.7 t -74.27 162.98 28.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -110.37 -26.15 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.0 mm-40 -72.0 -45.75 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.71 -41.97 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.06 31.99 4.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -77.33 169.19 18.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . . . -122.55 133.91 9.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -134.46 139.67 45.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.1 m -72.05 -45.7 59.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -95.35 131.53 41.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -52.56 -40.96 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -56.3 -46.24 79.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -48.76 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 15' ' ' CYS . 37.7 tp -49.94 -57.22 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -41.56 -62.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 33' ' ' ARG . 45.0 tt0 -57.98 -37.4 74.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -60.02 -41.51 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -50.51 -17.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 30' ' ' GLN . 87.2 mtt180 -62.0 -31.52 71.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' HIS . 14.2 pt -62.43 -8.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.3 m-70 -113.53 19.42 16.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -109.43 -19.49 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.34 -72.44 0.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -51.84 103.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -109.87 72.75 0.64 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.56 0.695 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.36 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -163.58 172.46 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.33 141.71 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -75.24 157.21 34.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m 63.6 42.17 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.491 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.18 149.3 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -53.44 101.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.59 157.04 21.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -71.08 -44.4 65.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -40.38 139.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.98 -141.8 7.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -128.19 104.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.354 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 p -149.41 169.61 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.14 152.61 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -110.58 153.15 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -70.55 -55.73 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 56.1 m-70 -109.93 107.9 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -108.98 140.84 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.95 163.57 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -110.37 -27.65 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.2 mm-40 -68.05 -44.39 76.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.64 -41.4 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.35 32.35 4.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -76.69 170.32 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.5 130.41 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 71.2 m-85 -132.3 127.14 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -55.31 -57.67 10.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -86.95 148.09 25.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 33.8 tptt -63.28 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.8 p -57.66 -36.84 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -54.34 -55.15 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.3 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -48.74 -54.95 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -34.89 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.0 t60 -63.22 -49.9 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.61 -25.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -50.04 -18.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.1 pt -80.9 -31.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.0 m-70 -86.52 -33.18 20.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 37' ' ' GLY . 9.9 t -94.39 -42.94 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' HG23 ' A' ' 36' ' ' THR . . . 45.32 -171.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.539 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -94.37 87.79 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -145.73 158.86 48.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.524 0.678 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.85 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -50.06 -56.32 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.47 -75.15 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.3 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' PRO . 23.8 t -34.42 -48.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -133.8 140.8 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 3' ' ' SER . 27.6 m -94.27 -52.47 4.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' SER . 56.1 p 35.48 42.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.94 86.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -135.29 107.59 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -87.73 174.25 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.34 63.48 1.08 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' THR . 27.6 p -137.8 115.5 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p 49.65 43.82 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 8' ' ' SER . 45.6 p -117.65 108.41 15.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 12' ' ' SER . 12.1 ttmt -119.28 168.14 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LYS . 39.5 t -34.1 -58.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.5 m-70 -98.09 82.75 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.75 138.84 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 t -73.33 159.97 32.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -111.82 -20.19 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.3 mm-40 -73.55 -34.81 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -131.32 -40.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 114.38 4.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.72 135.72 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.5 m -71.91 -49.56 36.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CE1' ' A' ' 27' ' ' HIS . 83.5 mt -93.03 135.8 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -52.9 -42.59 65.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -56.8 -51.73 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' HD12 ' A' ' 24' ' ' LEU . 15.0 m170 -39.48 -64.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -51.72 -53.28 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -41.77 -60.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -59.58 -36.06 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.3 t60 -61.02 -51.01 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -42.25 -26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 36' ' ' THR . 73.8 mtm180 -54.68 -44.13 73.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.8 pt -49.64 -20.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.3 m-70 -98.42 -25.08 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -42.68 -38.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' THR . . . 82.51 158.63 24.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' LYS . 32.3 mp0 -95.4 138.59 32.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 ttmm 37.32 54.7 3.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.8 1.68 4.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -54.37 123.73 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.99 169.06 0.83 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 104.8 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.315 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -129.47 172.98 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.2 p -74.29 132.74 42.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -96.28 84.15 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -81.94 97.81 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.36 140.76 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -107.91 122.74 47.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -172.3 140.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.32 167.71 29.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.5 p -95.83 44.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -64.05 157.81 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 p -153.84 138.62 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' SER . 23.8 tttt -109.44 161.86 14.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' LYS . 71.3 m -34.56 -57.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 29.5 m-70 -120.73 102.98 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -98.07 134.37 41.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 160.37 32.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -110.08 -25.2 10.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.8 mm-40 -67.45 -39.55 85.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -125.47 -40.31 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 24.06 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -72.58 170.84 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.16 135.68 8.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -134.55 145.48 48.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -71.92 -58.09 3.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 27' ' ' HIS . 29.9 mt -87.96 138.77 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 3.2 tppp? -53.39 -45.08 69.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -51.42 -46.98 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -49.33 -60.43 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 32.6 tp -56.18 -48.36 76.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -47.01 -54.0 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.12 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.2 t60 -66.76 -50.41 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -44.25 -24.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -56.61 -41.95 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 35' ' ' HIS . 15.5 pt -46.68 -29.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.706 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.8 m-70 -96.78 -31.97 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.5 m -54.68 101.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.44 110.37 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -115.06 150.48 35.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -124.58 81.73 59.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 175.78 7.67 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -83.62 168.73 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.5 126.42 35.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -17.36 37.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m 59.32 43.16 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.0 m -65.54 -42.76 91.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.498 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -150.85 152.77 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -111.46 169.91 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.14 122.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -157.32 133.28 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -118.2 149.52 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 126.38 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.1 t -109.61 41.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.39 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -76.49 127.38 32.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.3 m -88.05 144.87 26.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 179.08 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.1 p -133.96 -44.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.593 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 28.1 m80 -98.82 81.88 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 5.8 tt0 -91.48 146.71 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.71 158.16 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -110.36 -20.55 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.3 mm-40 -73.1 -38.75 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.17 -38.75 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.3 51.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 28.2 mtt180 -95.61 175.75 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.03 113.05 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 67.9 m-85 -119.13 119.48 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.5 m -54.86 -52.2 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 27' ' ' HIS . 22.0 mt -90.01 149.18 22.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG2' ' CD2' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -62.45 -56.01 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -43.25 -42.58 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CE1' HD12 ' A' ' 24' ' ' LEU . 41.3 m170 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 24.1 tp -60.6 -47.45 86.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -54.23 -59.89 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 42.5 tp60 -60.26 -15.55 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.5 t60 -84.54 -48.04 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -51.89 -25.1 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 20.3 mmm-85 -51.89 -22.88 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -70.5 -34.93 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -84.64 23.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -73.67 -33.94 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.4 -103.22 0.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.64 145.03 34.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -105.71 128.18 26.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.67 63.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.1 m -89.76 124.64 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.84 158.09 23.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.29 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.0 m -142.9 152.7 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' SER . 52.3 p 34.4 44.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.496 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -94.21 149.85 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 p -100.59 93.53 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.73 -137.89 1.73 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -104.78 -50.0 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -44.65 124.84 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 168.83 25.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 t -158.71 131.2 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' THR . 64.9 p -75.07 -49.65 19.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' SER . 33.1 m -34.56 113.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 12' ' ' SER . 9.6 ttpp -140.68 145.02 35.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.468 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 3.5 t -107.96 -42.67 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.606 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.8 m80 -124.34 143.13 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -127.52 143.08 51.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -82.15 150.74 27.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.79 -16.73 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mm-40 -72.8 -41.1 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -121.49 -38.11 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.38 36.85 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -91.55 171.96 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 135.22 8.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.98 137.81 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 p -65.81 -56.61 11.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD13 ' NE2' ' A' ' 27' ' ' HIS . 6.1 mp -88.42 144.53 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 18.5 tptp -59.96 -43.26 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -52.36 -43.92 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.533 ' NE2' HD13 ' A' ' 24' ' ' LEU . 7.4 m-70 -53.12 -59.75 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 13' ' ' HIS . 18.8 tp -57.27 -47.0 82.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -52.82 -55.35 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.87 -8.72 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.9 t60 -89.51 -40.95 12.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 36' ' ' THR . 42.6 mt-30 -57.02 -13.05 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 9.3 mmm180 -64.89 -16.54 63.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 35' ' ' HIS . 11.1 pt -77.03 -12.94 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.0 m-70 -114.07 -31.18 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 32' ' ' GLN . 77.6 p -51.61 119.31 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.92 -142.73 17.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -76.53 147.39 37.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 34.1 pttt -113.09 100.76 52.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.0 Cg_endo -69.76 -6.11 17.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -54.52 151.99 7.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.08 -87.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.52 30.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.3 m -110.09 142.91 40.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' GLY . 59.9 p -141.08 175.23 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -98.59 -46.97 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -115.47 -60.9 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.98 -65.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -42.37 113.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -112.13 41.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -83.96 1.07 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.0 m -89.54 88.88 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' SER . 33.4 p -36.67 -54.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -117.1 171.08 8.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.09 163.93 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -90.45 -54.62 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.601 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 12.9 m80 -109.14 125.58 52.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -122.09 136.66 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 11.7 t -72.13 154.22 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -108.34 -18.28 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 47.1 mm-40 -74.52 -39.43 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -124.1 -39.27 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 52.53 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -98.58 172.24 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.08 120.8 3.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 87.5 m-85 -122.4 132.35 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.0 m -68.78 -49.7 56.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.24 132.01 40.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tppp? -46.43 -56.0 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 p -40.51 -56.05 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -40.46 -65.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 13' ' ' HIS . 14.7 tp -48.52 -48.72 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.66 -54.05 43.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.7 tp60 -66.22 -7.35 17.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.958 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.4 t60 -95.48 -46.17 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -51.98 -31.35 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 4.4 ptm180 -54.68 -22.44 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -66.28 -24.42 33.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.3 m-70 -92.45 22.91 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 36' ' ' THR . 3.9 t -172.55 118.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.17 -76.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -99.69 132.02 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -110.06 77.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -28.14 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.1 t -172.36 118.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.67 -175.75 47.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -91.28 161.66 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.5 m -103.35 170.19 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.467 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 145.77 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -160.46 171.21 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.89 176.91 26.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -128.74 42.55 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -90.49 44.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.64 51.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.4 t -105.03 37.88 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 p -92.59 46.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 10' ' ' THR . 13.5 t -96.96 40.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.33 148.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -88.32 -56.64 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 25' ' ' LYS . 36.2 m-70 -109.24 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -111.16 142.41 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.54 160.06 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -110.56 -25.29 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.6 mm-40 -67.72 -40.87 84.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.76 -39.8 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.25 21.99 7.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -71.65 163.95 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.05 140.42 12.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -138.58 139.95 38.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.6 m -74.58 -49.36 22.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 27' ' ' HIS . 16.3 mt -94.45 120.14 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD2' ' ND1' ' A' ' 13' ' ' HIS . 13.2 tptm -38.67 -47.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -47.44 -51.99 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 24' ' ' LEU . 54.1 m170 -45.9 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.86 -58.78 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -39.67 -56.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.81 -39.59 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.5 t60 -59.59 -41.62 90.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.68 -22.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -55.01 -41.45 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.83 -11.34 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.0 m-70 -111.19 -27.28 8.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -60.85 151.47 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 75.99 0.58 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -130.37 164.89 23.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -155.09 133.62 7.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.23 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.39 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -151.25 117.96 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.49 84.23 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.44 28.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 58.88 43.29 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -171.82 162.1 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.498 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -113.84 42.12 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 p -140.9 125.66 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.92 49.36 6.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -129.33 82.01 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -126.96 85.26 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.49 65.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -134.49 -45.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -99.7 127.2 45.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -113.92 155.49 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -148.86 144.27 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 18.1 t -37.76 -47.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -124.57 99.1 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.51 138.96 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 t -71.28 161.94 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -110.27 -24.35 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.1 mm-40 -71.86 -42.17 67.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -121.22 -41.17 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.08 29.34 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -75.72 166.63 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.53 129.73 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 66.3 m-85 -131.21 119.96 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -56.3 -45.71 80.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' CE1' ' A' ' 27' ' ' HIS . 36.1 mt -91.18 136.52 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -58.39 -46.69 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 p -53.69 -48.75 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD12 ' A' ' 24' ' ' LEU . 36.1 m170 -45.98 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.7 -49.48 62.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -46.19 -54.7 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.43 -28.39 69.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 7.5 t60 -69.34 -54.37 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -43.06 -23.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 27.0 mtp180 -54.22 -42.04 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 35' ' ' HIS . 21.3 pt -48.94 -29.38 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.8 m-70 -94.6 -33.15 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -58.56 121.91 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.74 97.72 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -89.39 81.64 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -128.67 75.91 79.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.66 33.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -106.59 106.67 17.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.78 142.78 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 158.66 56.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.333 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.1 t -159.79 142.91 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -82.65 141.85 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -103.83 42.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -145.96 158.92 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.56 -78.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -153.68 106.08 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -121.09 84.29 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 179.65 30.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 p -112.88 128.31 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -118.4 150.87 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.0 p -84.45 45.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 9.0 tppt? -102.09 137.5 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -81.38 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.615 ' HB3' HD22 ' A' ' 28' ' ' LEU . 6.3 m-70 -68.27 81.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -107.34 131.27 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.85 149.99 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -105.04 -15.81 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mm-40 -74.86 -40.2 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -122.41 -38.09 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.54 30.32 4.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 43.7 mtt180 -81.23 165.94 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.84 131.18 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 75.4 m-85 -126.31 154.65 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.9 m -84.0 -40.82 17.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 34.1 mt -107.05 151.85 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 11.4 mmmt -58.75 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' LYS . 58.1 m -34.01 -42.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 59.9 m170 -57.21 -60.65 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 13' ' ' HIS . 3.4 tp -66.74 -51.52 54.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -49.51 -39.18 33.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -81.31 -21.89 38.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' A' ' 20' ' ' ARG . 9.5 t60 -76.4 -44.16 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -49.48 -18.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -61.0 -34.24 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.7 pt -63.26 -9.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.2 m-70 -114.92 20.01 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -126.0 -42.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.94 -38.59 0.53 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' CD ' ' HD3' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -66.12 116.42 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.881 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -115.0 83.08 9.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD3' ' CD ' ' A' ' 38' ' ' GLU . 54.3 Cg_endo -69.7 -48.14 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m 41.41 46.21 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.35 -76.22 0.26 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.78 0.06 6.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.746 2.297 . . . . 0.0 112.323 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . 26.6 m 34.2 42.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -91.25 175.32 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.469 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -127.02 90.39 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -84.59 42.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.99 124.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -99.52 -62.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -120.88 88.2 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.71 -64.43 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m -58.54 113.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -100.74 146.95 26.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.2 t -120.17 144.58 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' SER . 14.0 tptt -126.21 159.94 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' LYS . 50.2 m -36.28 -53.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.506 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 21.1 m-70 -100.97 81.85 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -91.67 143.47 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.28 160.2 30.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -111.71 -21.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.6 mm-40 -75.23 -42.14 56.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -119.91 -40.15 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.22 34.15 4.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -81.68 165.88 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.76 126.34 6.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 65.6 m-85 -126.11 135.62 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 p -65.02 -57.65 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.2 mp -84.7 150.25 25.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 38.2 tptt -69.9 -31.29 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -70.74 -24.21 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 1.003 ' CE1' HD13 ' A' ' 24' ' ' LEU . 36.1 m170 -68.37 -56.29 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.93 -44.76 74.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -55.19 -58.82 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 4.7 tp60 -57.42 -18.36 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.6 t60 -86.2 -41.86 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.74 -16.06 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 17.3 mmm180 -62.94 -12.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.2 pt -83.71 -26.89 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 80.8 m-70 -87.38 12.39 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -158.06 135.04 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.37 -142.26 4.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -122.16 12.21 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.45 132.09 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 136.9 34.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -100.88 -41.66 6.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.95 -88.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.5 8.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p 45.09 43.72 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t 51.97 38.5 23.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.468 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -59.04 -44.55 91.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -60.39 165.54 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.83 -117.17 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 p -92.67 175.47 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -82.24 88.04 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.22 -151.27 48.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -114.51 167.19 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' THR . 68.6 p 38.51 41.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 38.3 m -37.76 -51.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 23' ' ' THR . 22.9 ttmt -128.95 165.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -34.82 -49.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 39.0 m-70 -130.43 114.49 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 15.3 tt0 -110.51 146.51 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 29.6 t -73.76 162.26 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.91 -21.26 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -75.84 -44.54 40.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.16 -38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 25.55 6.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 29.2 mtt180 -77.52 173.55 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.4 145.82 17.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -144.56 124.55 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.536 ' OG1' HD12 ' A' ' 24' ' ' LEU . 23.4 p -54.35 -53.76 49.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.3 mp -86.5 139.79 30.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 20.0 tptm -63.92 -34.33 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -63.82 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' HD13 ' A' ' 24' ' ' LEU . 21.7 m170 -54.75 -63.04 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.9 tp -48.2 -59.72 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LEU . 59.2 t-20 -35.63 -56.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.12 -37.61 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.1 t60 -62.2 -45.92 91.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -49.12 -18.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -58.61 -32.61 69.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.0 pt -62.53 -9.83 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.6 m-70 -112.44 -29.38 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.7 p -56.65 125.55 22.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.07 -162.84 36.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -165.42 119.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -46.92 134.43 8.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -67.88 -61.02 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.84 126.79 3.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.14 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -166.31 124.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 p -62.39 -53.3 56.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -70.46 84.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -168.7 132.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.15 -136.32 9.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -98.02 164.53 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -148.37 149.82 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -150.29 5.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -116.23 -44.59 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 m -131.49 -71.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 p -143.89 168.67 19.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 12' ' ' SER . 9.9 ttpp -138.72 143.09 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 17.4 m -119.17 -35.33 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -117.69 134.0 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.9 tt0 -125.84 151.38 46.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 21.9 t -82.51 162.79 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -115.76 -18.65 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -77.56 -40.32 42.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.44 -34.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.57 10.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.9 mtt-85 -73.38 164.28 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.812 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.49 132.27 8.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 73.6 m-85 -133.82 123.39 24.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 m -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.4 mp -84.84 134.17 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -57.57 -37.33 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -61.08 -44.0 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 24' ' ' LEU . 38.8 m170 -52.91 -59.3 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 17.0 tp -51.49 -46.43 63.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.1 -55.49 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.65 -10.45 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.1 t60 -89.28 -41.62 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.46 -11.7 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -64.04 -18.68 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.5 pt -81.28 -28.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.6 m-70 -90.57 -29.5 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -68.24 -25.8 65.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.45 -39.73 84.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -88.99 177.33 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.39 103.79 15.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.62 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -126.73 88.41 2.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.67 167.99 16.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -3.28 11.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -79.84 101.9 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -74.32 176.63 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 33.2 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.739 0.304 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.43 145.25 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 28' ' ' LEU . 48.5 t -89.75 149.47 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -104.51 -19.31 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.5 mm-40 -68.07 -41.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -123.42 -40.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 32.28 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.9 170.15 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.42 140.2 11.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 80.4 m-85 -139.75 140.22 36.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -74.58 -46.97 35.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' LYS . 36.1 mt -96.35 118.0 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' N ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -36.34 -52.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -43.97 -53.76 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -40.77 -65.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 15' ' ' CYS . 63.2 tp -52.17 -56.73 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 22.9 t-20 -37.46 -51.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.93 -33.94 76.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.6 t60 -67.44 -54.38 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -43.28 -30.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -46.67 -39.74 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.3 pt -51.72 -36.41 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.9 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.748 0.308 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -117.28 140.86 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 t -76.32 164.53 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -115.53 -19.81 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -76.58 -41.49 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -121.1 -37.57 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 32.21 5.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -79.38 174.91 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.86 129.86 5.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.8 129.16 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.2 p -62.3 -49.04 77.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' A' ' 27' ' ' HIS . 53.5 mt -91.71 132.34 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -50.8 -47.78 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -49.49 -52.78 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -40.81 -63.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.32 -44.47 72.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -53.94 -49.7 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.36 -7.08 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.443 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -90.82 -34.77 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.59 -10.99 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -65.13 -15.39 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.8 pt -82.9 -27.76 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.754 0.311 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -128.43 138.18 52.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.2 t -75.8 153.56 36.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -105.82 -20.22 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.1 mm-40 -73.89 -44.72 54.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.88 -38.89 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.71 16.09 11.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -70.95 -177.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.55 145.15 13.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -140.13 159.89 41.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -82.46 -61.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -75.86 142.79 42.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -60.83 -39.8 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 46.3 m170 -47.9 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.17 -49.42 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -50.53 -48.88 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.2 -31.88 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.76 -36.15 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.6 -11.04 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -67.9 -18.92 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.1 pt -77.85 -9.4 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.4 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.8 m-70 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.751 0.31 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -100.71 135.12 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -65.4 164.1 14.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -111.89 -23.69 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -75.23 -41.48 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.92 -38.39 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.76 23.35 9.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -70.6 159.64 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.22 125.44 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 98.6 m-85 -125.16 127.67 47.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.6 m -65.27 -47.91 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 27' ' ' HIS . 47.9 mt -95.5 124.87 39.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 13' ' ' HIS . 12.6 tppt? -45.71 -47.34 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -48.18 -45.09 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' HD12 ' A' ' 24' ' ' LEU . 64.2 m170 -53.77 -60.67 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.69 -43.65 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -56.89 -65.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -59.14 -14.55 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.8 t60 -80.82 -41.92 22.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.22 -24.73 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 14.3 mmm180 -53.19 -16.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.5 pt -76.86 -38.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.9 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB3' HD23 ' A' ' 28' ' ' LEU . 20.8 m-70 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.74 0.305 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -123.79 145.34 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.8 161.6 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -114.34 -17.68 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.4 mm-40 -80.42 -41.09 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.96 -36.03 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.94 25.35 8.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.06 163.86 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.65 143.18 15.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 57.5 m-85 -143.11 125.48 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -60.16 -48.24 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.48 127.69 37.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -51.14 23.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -46.51 -54.88 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -41.22 -65.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 13' ' ' HIS . 21.6 tp -52.19 -59.02 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -40.91 -50.79 3.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -69.11 -29.28 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' HD11 ' A' ' 34' ' ' ILE . 6.3 t60 -69.98 -39.23 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -54.53 -14.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -62.98 -30.93 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.2 pt -66.87 -7.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.0 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.585 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 44.3 m-70 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.745 0.307 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.1 142.33 51.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.21 160.66 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -110.36 -23.04 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 45.7 mm-40 -73.23 -41.52 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -120.05 -40.56 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.77 41.4 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -89.0 163.66 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.76 128.27 8.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -129.98 129.58 43.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.3 m -68.62 -48.03 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 27' ' ' HIS . 84.7 mt -90.43 119.08 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 42.1 tptt -40.93 -44.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 t -51.96 -54.73 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.617 ' CE1' HD12 ' A' ' 24' ' ' LEU . 42.8 m170 -40.24 -62.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.31 -59.68 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' ND2' ' HG3' ' A' ' 25' ' ' LYS . 15.2 m-80 -42.73 -55.84 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.6 -29.18 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.61 -45.43 75.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -48.32 -20.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.69 -33.92 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 pt -62.84 -8.95 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.3 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.787 0.327 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -113.25 140.39 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.78 164.67 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -110.62 -27.48 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.4 mm-40 -71.5 -45.04 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -116.58 -40.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.38 28.72 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 40.2 mtt-85 -71.65 176.98 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.78 130.38 6.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.0 m-85 -133.34 127.28 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.8 m -62.01 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 ' CE1' ' A' ' 27' ' ' HIS . 66.5 mt -95.1 122.41 37.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.54 -49.18 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -47.67 -55.94 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.482 ' CE1' HD12 ' A' ' 24' ' ' LEU . 28.4 m170 -41.13 -62.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -46.46 -57.26 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -42.97 -58.53 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -56.92 -34.94 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 5.4 t60 -66.39 -54.58 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -41.59 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 31' ' ' HIS . 46.2 mtp180 -54.55 -43.62 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.0 pt -46.22 -29.23 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.3 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.2 m-70 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.731 0.301 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -108.44 142.09 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HA ' HD11 ' A' ' 28' ' ' LEU . 16.7 t -74.27 162.98 28.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -110.37 -26.15 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.0 mm-40 -72.0 -45.75 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.71 -41.97 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.06 31.99 4.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -77.33 169.19 18.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -122.55 133.91 9.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -134.46 139.67 45.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.1 m -72.05 -45.7 59.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -95.35 131.53 41.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 4.3 tppp? -52.56 -40.96 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -56.3 -46.24 79.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -48.76 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 15' ' ' CYS . 37.7 tp -49.94 -57.22 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -41.56 -62.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 33' ' ' ARG . 45.0 tt0 -57.98 -37.4 74.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -60.02 -41.51 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -50.51 -17.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 30' ' ' GLN . 87.2 mtt180 -62.0 -31.52 71.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' HIS . 14.2 pt -62.43 -8.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.3 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 56.1 m-70 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.734 0.302 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -108.98 140.84 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.95 163.57 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -110.37 -27.65 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.2 mm-40 -68.05 -44.39 76.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.64 -41.4 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.35 32.35 4.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -76.69 170.32 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.5 130.41 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 71.2 m-85 -132.3 127.14 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -55.31 -57.67 10.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -86.95 148.09 25.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 33.8 tptt -63.28 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.8 p -57.66 -36.84 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -54.34 -55.15 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.3 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -48.74 -54.95 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -34.89 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.489 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.0 t60 -63.22 -49.9 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.61 -25.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -50.04 -18.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.1 pt -80.9 -31.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.5 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.773 0.32 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.75 138.84 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 t -73.33 159.97 32.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -111.82 -20.19 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.3 mm-40 -73.55 -34.81 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -131.32 -40.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 114.38 4.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.72 135.72 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.5 m -71.91 -49.56 36.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CE1' ' A' ' 27' ' ' HIS . 83.5 mt -93.03 135.8 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -52.9 -42.59 65.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -56.8 -51.73 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' HD12 ' A' ' 24' ' ' LEU . 15.0 m170 -39.48 -64.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -51.72 -53.28 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -41.77 -60.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -59.58 -36.06 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.3 t60 -61.02 -51.01 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -42.25 -26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.8 mtm180 -54.68 -44.13 73.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.8 pt -49.64 -20.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.3 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 29.5 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.744 0.307 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -98.07 134.37 41.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 160.37 32.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -110.08 -25.2 10.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.8 mm-40 -67.45 -39.55 85.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -125.47 -40.31 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 24.06 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -72.58 170.84 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.16 135.68 8.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -134.55 145.48 48.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -71.92 -58.09 3.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 27' ' ' HIS . 29.9 mt -87.96 138.77 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 3.2 tppp? -53.39 -45.08 69.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -51.42 -46.98 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -49.33 -60.43 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 32.6 tp -56.18 -48.36 76.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -47.01 -54.0 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.12 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.533 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.2 t60 -66.76 -50.41 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -44.25 -24.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -56.61 -41.95 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 35' ' ' HIS . 15.5 pt -46.68 -29.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.706 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.8 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 62.1 m-70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.766 0.317 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.9 tt0 -91.48 146.71 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.71 158.16 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -110.36 -20.55 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.3 mm-40 -73.1 -38.75 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.17 -38.75 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.3 51.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 28.2 mtt180 -95.61 175.75 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.03 113.05 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 67.9 m-85 -119.13 119.48 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.5 m -54.86 -52.2 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 27' ' ' HIS . 22.0 mt -90.01 149.18 22.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -62.45 -56.01 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -43.25 -42.58 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CE1' HD12 ' A' ' 24' ' ' LEU . 41.3 m170 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 24.1 tp -60.6 -47.45 86.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -54.23 -59.89 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 42.5 tp60 -60.26 -15.55 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.5 t60 -84.54 -48.04 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -51.89 -25.1 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 20.3 mmm-85 -51.89 -22.88 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -70.5 -34.93 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 18.8 m-70 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.778 0.323 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -127.52 143.08 51.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -82.15 150.74 27.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.79 -16.73 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mm-40 -72.8 -41.1 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -121.49 -38.11 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.38 36.85 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -91.55 171.96 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 135.22 8.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.98 137.81 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 p -65.81 -56.61 11.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.731 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.1 mp -88.42 144.53 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 18.5 tptp -59.96 -43.26 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -52.36 -43.92 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.731 ' CE1' HD13 ' A' ' 24' ' ' LEU . 50.5 m170 -53.12 -59.75 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 13' ' ' HIS . 18.8 tp -57.27 -47.0 82.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -52.82 -55.35 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.87 -8.72 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.9 t60 -89.51 -40.95 12.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -57.02 -13.05 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 9.3 mmm180 -64.89 -16.54 63.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 35' ' ' HIS . 11.1 pt -77.03 -12.94 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.0 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.609 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 28.9 m-70 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.741 0.305 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -122.09 136.66 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 11.7 t -72.13 154.22 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -108.34 -18.28 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 47.1 mm-40 -74.52 -39.43 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -124.1 -39.27 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 52.53 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -98.58 172.24 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.08 120.8 3.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 87.5 m-85 -122.4 132.35 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.0 m -68.78 -49.7 56.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.24 132.01 40.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.609 ' CE ' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tppp? -46.43 -56.0 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 p -40.51 -56.05 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -40.46 -65.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 13' ' ' HIS . 14.7 tp -48.52 -48.72 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.66 -54.05 43.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.7 tp60 -66.22 -7.35 17.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.958 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.4 t60 -95.48 -46.17 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -51.98 -31.35 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 4.4 ptm180 -54.68 -22.44 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -66.28 -24.42 33.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.3 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 25' ' ' LYS . 36.2 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -111.16 142.41 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.54 160.06 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -110.56 -25.29 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.6 mm-40 -67.72 -40.87 84.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.76 -39.8 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.25 21.99 7.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -71.65 163.95 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.05 140.42 12.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -138.58 139.95 38.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.6 m -74.58 -49.36 22.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 27' ' ' HIS . 16.3 mt -94.45 120.14 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD2' ' ND1' ' A' ' 13' ' ' HIS . 13.2 tptm -38.67 -47.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -47.44 -51.99 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 24' ' ' LEU . 54.1 m170 -45.9 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.86 -58.78 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -39.67 -56.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.81 -39.59 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.5 t60 -59.59 -41.62 90.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.68 -22.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -55.01 -41.45 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.83 -11.34 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.0 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.477 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 14.0 m-70 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.735 0.303 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.51 138.96 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 t -71.28 161.94 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -110.27 -24.35 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.1 mm-40 -71.86 -42.17 67.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -121.22 -41.17 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.08 29.34 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -75.72 166.63 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.53 129.73 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 66.3 m-85 -131.21 119.96 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -56.3 -45.71 80.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' CE1' ' A' ' 27' ' ' HIS . 36.1 mt -91.18 136.52 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 15.8 tptm -58.39 -46.69 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 p -53.69 -48.75 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD12 ' A' ' 24' ' ' LEU . 36.1 m170 -45.98 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.7 -49.48 62.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -46.19 -54.7 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.43 -28.39 69.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 7.5 t60 -69.34 -54.37 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -43.06 -23.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 27.0 mtp180 -54.22 -42.04 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 35' ' ' HIS . 21.3 pt -48.94 -29.38 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.8 m-70 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.615 ' HB3' HD22 ' A' ' 28' ' ' LEU . 6.3 m-70 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.754 0.311 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -107.34 131.27 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.85 149.99 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -105.04 -15.81 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mm-40 -74.86 -40.2 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -122.41 -38.09 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.54 30.32 4.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 43.7 mtt180 -81.23 165.94 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.84 131.18 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' A' ' 27' ' ' HIS . 75.4 m-85 -126.31 154.65 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.9 m -84.0 -40.82 17.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 34.1 mt -107.05 151.85 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 11.4 mmmt -58.75 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' LYS . 58.1 m -34.01 -42.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 59.9 m170 -57.21 -60.65 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 13' ' ' HIS . 3.4 tp -66.74 -51.52 54.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -49.51 -39.18 33.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -81.31 -21.89 38.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' A' ' 20' ' ' ARG . 9.5 t60 -76.4 -44.16 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -49.48 -18.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -61.0 -34.24 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.7 pt -63.26 -9.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.2 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.506 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 21.1 m-70 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -91.67 143.47 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.28 160.2 30.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -111.71 -21.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.6 mm-40 -75.23 -42.14 56.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -119.91 -40.15 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.22 34.15 4.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -81.68 165.88 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.76 126.34 6.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 65.6 m-85 -126.11 135.62 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 p -65.02 -57.65 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.2 mp -84.7 150.25 25.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 38.2 tptt -69.9 -31.29 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -70.74 -24.21 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 1.003 ' CE1' HD13 ' A' ' 24' ' ' LEU . 36.1 m170 -68.37 -56.29 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.93 -44.76 74.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -55.19 -58.82 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 4.7 tp60 -57.42 -18.36 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.6 t60 -86.2 -41.86 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.74 -16.06 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 17.3 mmm180 -62.94 -12.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.2 pt -83.71 -26.89 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 80.8 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 39.0 m-70 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.742 0.306 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 15.3 tt0 -110.51 146.51 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 29.6 t -73.76 162.26 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -111.91 -21.26 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -75.84 -44.54 40.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.16 -38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 25.55 6.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 29.2 mtt180 -77.52 173.55 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.4 145.82 17.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -144.56 124.55 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.536 ' OG1' HD12 ' A' ' 24' ' ' LEU . 23.4 p -54.35 -53.76 49.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.3 mp -86.5 139.79 30.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 20.0 tptm -63.92 -34.33 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -63.82 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' HD13 ' A' ' 24' ' ' LEU . 21.7 m170 -54.75 -63.04 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.9 tp -48.2 -59.72 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LEU . 59.2 t-20 -35.63 -56.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.12 -37.61 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.1 t60 -62.2 -45.92 91.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -49.12 -18.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -58.61 -32.61 69.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.0 pt -62.53 -9.83 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.6 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.72 0.295 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.9 tt0 -125.84 151.38 46.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 21.9 t -82.51 162.79 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -115.76 -18.65 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -77.56 -40.32 42.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.44 -34.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.57 10.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.9 mtt-85 -73.38 164.28 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.812 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.49 132.27 8.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 73.6 m-85 -133.82 123.39 24.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 m -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.4 mp -84.84 134.17 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -57.57 -37.33 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -61.08 -44.0 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 24' ' ' LEU . 38.8 m170 -52.91 -59.3 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 17.0 tp -51.49 -46.43 63.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.1 -55.49 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.65 -10.45 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.1 t60 -89.28 -41.62 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.46 -11.7 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -64.04 -18.68 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.5 pt -81.28 -28.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.6 m-70 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 t 58.42 42.22 21.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.87 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -76.23 80.22 3.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.65 -102.92 0.16 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p 38.73 42.83 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -73.67 80.03 1.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.15 0.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.469 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.9 m -101.96 173.67 6.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p -139.31 117.22 11.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 47.0 p -100.15 -32.66 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 23' ' ' THR . 0.1 OUTLIER -145.53 152.21 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 m -53.75 -61.07 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.476 ' CD2' ' N ' ' A' ' 25' ' ' LYS . 33.2 m-70 -93.15 104.9 17.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.43 145.25 42.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 28' ' ' LEU . 48.5 t -89.75 149.47 22.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -104.51 -19.31 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.5 mm-40 -68.07 -41.23 82.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -123.42 -40.34 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.95 32.28 2.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -85.9 170.15 12.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.876 0.369 . . . . 0.0 110.858 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.415 ' C ' ' HD2' ' A' ' 11' ' ' LYS . . . -134.42 140.2 11.54 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.422 ' C ' ' HD3' ' A' ' 11' ' ' LYS . 80.4 m-85 -139.75 140.22 36.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.449 ' N ' ' HD3' ' A' ' 11' ' ' LYS . 21.8 m -74.58 -46.97 35.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 25' ' ' LYS . 36.1 mt -96.35 118.0 31.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' N ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -36.34 -52.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.7 t -43.97 -53.76 5.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -40.77 -65.89 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.81 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 15' ' ' CYS . 63.2 tp -52.17 -56.73 12.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.959 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' LEU . 22.9 t-20 -37.46 -51.61 1.13 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -65.93 -33.94 76.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 28' ' ' LEU . 6.6 t60 -67.44 -54.38 20.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -43.28 -30.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -46.67 -39.74 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.3 pt -51.72 -36.41 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.9 m-70 -81.65 -33.92 31.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 36' ' ' THR . 9.5 t -128.2 119.6 25.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -103.7 -133.65 7.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.535 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 39' ' ' LYS . 12.0 mt-10 -119.37 55.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 20.8 mtmm 36.88 53.49 2.63 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.77 153.66 68.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.643 2.228 . . . . 0.0 112.332 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m -88.28 117.09 26.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.85 165.35 15.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 111.68 2.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.4 p -75.21 107.19 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 t -47.85 169.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.521 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 m -158.72 165.55 34.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 0.0 110.857 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -96.08 149.41 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.82 104.79 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.479 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -117.42 160.93 20.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 0.0 110.852 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.2 p -89.45 91.5 8.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.78 85.01 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.2 t -85.09 -60.9 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 t -143.23 139.47 30.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.7 p -141.02 114.43 8.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 tppt? -114.93 149.08 37.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -37.46 -51.36 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -123.59 125.22 44.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -117.28 140.86 49.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.2 t -76.32 164.53 25.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -115.53 -19.81 10.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.9 mm-40 -76.58 -41.49 46.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.1 p -121.1 -37.57 2.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.41 32.21 5.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -79.38 174.91 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.86 129.86 5.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -131.8 129.16 40.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.959 0.409 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 38.2 p -62.3 -49.04 77.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD12 ' CE1' ' A' ' 27' ' ' HIS . 53.5 mt -91.71 132.34 36.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -50.8 -47.78 59.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.3 p -49.49 -52.78 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.467 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -40.81 -63.77 0.62 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -54.32 -44.47 72.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -53.94 -49.7 68.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -74.36 -7.08 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.9 t60 -90.82 -34.77 15.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -62.59 -10.99 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.45 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -65.13 -15.39 62.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.454 HD11 ' CE1' ' A' ' 35' ' ' HIS . 4.8 pt -82.9 -27.76 8.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 56.3 m-70 -93.01 -32.75 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 33' ' ' ARG . 1.4 t -70.54 134.97 48.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.71 -174.3 39.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.464 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -71.82 117.69 13.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 40' ' ' PRO . 16.2 ttpp -150.49 140.61 14.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.526 0.679 . . . . 0.0 110.952 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 39' ' ' LYS . 53.8 Cg_endo -69.77 152.14 69.21 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.653 2.235 . . . . 0.0 112.389 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 t 52.16 41.43 30.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.49 -65.42 1.79 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 160.62 49.01 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.676 2.251 . . . . 0.0 112.379 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 46.6 t -150.18 137.82 19.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 46' ' ' GLY . 30.6 t -41.97 -53.2 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.125 -0.82 . . . . 0.0 112.46 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -129.76 160.93 31.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.927 0.394 . . . . 0.0 110.847 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -73.12 159.84 32.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.7 -156.8 7.01 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -146.2 107.79 4.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.864 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -98.79 90.8 4.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.65 -43.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.6 m -99.96 92.17 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.7 m -66.4 -61.62 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.4 p -93.19 89.66 6.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 170.98 15.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.9 t -119.99 -67.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -106.94 145.94 31.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -128.43 138.18 52.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.2 t -75.8 153.56 36.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -105.82 -20.22 13.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 9.1 mm-40 -73.89 -44.72 54.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.88 -38.89 3.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.71 16.09 11.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 mtt85 -70.95 -177.76 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.847 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -146.55 145.15 13.74 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.499 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -140.13 159.89 41.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.915 0.388 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.429 ' HB ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -82.46 -61.78 1.8 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.538 ' HB2' ' CG ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -75.86 142.79 42.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.7 tptp -60.83 -39.8 90.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CG ' ' HB2' ' A' ' 24' ' ' LEU . 46.3 m170 -47.9 -64.96 0.65 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 tp -53.17 -49.42 66.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -50.53 -48.88 56.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -67.2 -31.88 72.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -69.76 -36.15 75.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -59.6 -11.04 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -67.9 -18.92 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.1 pt -77.85 -9.4 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 68.4 m-70 -111.6 -30.02 7.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.818 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.8 p -50.69 129.15 22.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.55 134.5 41.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.519 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -117.17 86.13 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 14.2 pttp 37.38 52.04 2.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 110.883 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.78 -177.44 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.711 2.274 . . . . 0.0 112.331 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.3 t -104.13 101.35 11.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.18 79.12 1.14 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.504 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -47.84 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.341 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t 39.76 44.93 1.38 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.0 t -77.6 -55.58 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.456 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.3 m -133.87 142.64 47.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.847 0.356 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -161.84 160.41 28.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 94.15 0.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -47.04 129.76 12.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 p -72.23 86.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.804 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.73 132.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -98.9 84.46 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.93 0.395 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.3 t -173.38 123.95 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.6 t -107.74 131.85 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.152 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.37 156.27 27.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.1 m -37.94 -58.47 0.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' CE1' ' HE2' ' A' ' 25' ' ' LYS . 13.8 m-70 -109.14 102.04 11.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -100.71 135.12 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.6 t -65.4 164.1 14.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -111.89 -23.69 10.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.531 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.0 mm-40 -75.23 -41.48 57.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -120.92 -38.39 2.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.76 23.35 9.4 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.459 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.1 mtt85 -70.6 159.64 33.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -113.22 125.44 7.0 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 98.6 m-85 -125.16 127.67 47.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 90.6 m -65.27 -47.91 75.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.14 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD12 ' CE1' ' A' ' 27' ' ' HIS . 47.9 mt -95.5 124.87 39.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HE2' ' CE1' ' A' ' 13' ' ' HIS . 12.6 tppt? -45.71 -47.34 15.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.1 p -48.18 -45.09 33.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' CE1' HD12 ' A' ' 24' ' ' LEU . 64.2 m170 -53.77 -60.67 3.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 tp -50.69 -43.65 57.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -56.89 -65.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -59.14 -14.55 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.638 ' O ' HG23 ' A' ' 34' ' ' ILE . 9.8 t60 -80.82 -41.92 22.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.22 -24.73 60.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 14.3 mmm180 -53.19 -16.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.638 HG23 ' O ' ' A' ' 31' ' ' HIS . 10.5 pt -76.86 -38.99 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 63.9 m-70 -79.93 -28.44 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.2 t -113.92 37.65 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.14 -113.82 1.0 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.0 tm-20 -68.54 159.4 31.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.877 0.37 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 24.3 pttt 37.29 54.26 3.21 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.587 0.708 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.7 Cg_endo -69.79 -178.42 2.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.662 2.241 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.5 m -80.22 164.83 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -123.57 70.8 0.44 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.491 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 135.15 29.66 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -148.09 156.05 42.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.2 p -52.54 153.4 3.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.455 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 t -149.81 143.35 25.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 110.897 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -89.75 167.36 12.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.19 91.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -67.65 82.26 0.18 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.3 p -113.85 84.38 2.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.99 40.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.8 m -83.22 124.7 30.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.0 t -167.19 111.46 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 70.5 p -90.85 85.43 6.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.24 143.78 25.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.6 m -68.99 -67.05 0.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.502 ' HB3' HD23 ' A' ' 28' ' ' LEU . 20.8 m-70 -101.3 121.04 41.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -123.79 145.34 49.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -74.8 161.6 29.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -114.34 -17.68 11.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.4 mm-40 -80.42 -41.09 25.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.96 -36.03 3.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.94 25.35 8.5 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -76.06 163.86 26.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.65 143.18 15.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.455 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' CD1' ' HB2' ' A' ' 28' ' ' LEU . 57.5 m-85 -143.11 125.48 15.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.976 0.417 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.3 m -60.16 -48.24 82.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.125 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.2 mt -91.48 127.69 37.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -51.14 23.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 t -46.51 -54.88 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -41.22 -65.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB3' ' A' ' 13' ' ' HIS . 21.6 tp -52.19 -59.02 4.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -40.91 -50.79 3.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -69.11 -29.28 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.461 ' CE1' HD11 ' A' ' 34' ' ' ILE . 6.3 t60 -69.98 -39.23 76.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.607 ' O ' HG23 ' A' ' 36' ' ' THR . 35.5 mt-30 -54.53 -14.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -62.98 -30.93 71.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.2 pt -66.87 -7.86 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 72.0 m-70 -113.82 -17.57 12.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 32' ' ' GLN . 16.0 p -93.61 47.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.198 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.47 -164.24 9.83 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -70.84 151.49 44.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.93 0.395 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -163.12 144.56 7.61 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 136.28 32.7 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.711 2.274 . . . . 0.0 112.338 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.2 m -127.36 167.91 15.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.31 -94.83 2.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 162.96 40.04 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.625 2.217 . . . . 0.0 112.373 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 p -120.47 163.15 18.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.2 m -134.12 125.11 27.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.542 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -53.03 144.75 14.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 t -83.79 -52.5 6.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 136.84 -79.61 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.477 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 4' ' ' GLY . 9.7 t -35.05 116.29 0.33 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.848 0.356 . . . . 0.0 110.912 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.4 p -116.26 42.51 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.816 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.31 154.79 10.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.467 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.1 t -45.63 119.3 2.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.8 m -107.76 130.44 54.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.847 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.444 HG23 ' O ' ' A' ' 10' ' ' THR . 11.3 t -84.7 46.68 1.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 23' ' ' THR . 0.2 OUTLIER -77.53 160.32 28.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 m -109.96 -57.19 2.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.585 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 44.3 m-70 -88.0 122.62 31.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -128.1 142.33 51.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.7 t -76.21 160.66 29.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -110.36 -23.04 11.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 45.7 mm-40 -73.23 -41.52 63.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.9 p -120.05 -40.56 2.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.77 41.4 2.69 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.516 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 mtt85 -89.0 163.66 15.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.76 128.27 8.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 97.2 m-85 -129.98 129.58 43.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 0.0 110.936 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 31.3 m -68.62 -48.03 65.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.617 HD12 ' CE1' ' A' ' 27' ' ' HIS . 84.7 mt -90.43 119.08 30.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.585 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 42.1 tptt -40.93 -44.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 t -51.96 -54.73 26.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.849 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.617 ' CE1' HD12 ' A' ' 24' ' ' LEU . 42.8 m170 -40.24 -62.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.1 tp -52.31 -59.68 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' ND2' ' HG3' ' A' ' 25' ' ' LYS . 15.2 m-80 -42.73 -55.84 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.6 -29.18 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.968 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -67.61 -45.43 75.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -48.32 -20.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -57.69 -33.92 68.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 15.4 pt -62.84 -8.95 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 78.3 m-70 -110.55 -32.37 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 p -49.53 123.77 8.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 149.58 -163.2 29.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 39' ' ' LYS . 5.0 mm-40 -119.91 176.74 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.468 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 1.1 mmpt? 34.71 52.98 1.45 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.591 0.71 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.8 108.2 2.03 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.4 p -49.75 128.15 17.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -120.91 -93.74 1.34 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 85.26 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 0.0 112.36 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -90.65 -51.07 5.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 46' ' ' GLY . 2.9 m -139.19 165.75 26.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -159.02 131.14 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 110.887 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -113.52 92.36 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 43.59 88.33 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.497 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 p -44.08 164.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 p -77.46 85.33 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.6 170.67 44.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 72.9 m 40.3 44.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 0.0 110.887 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.9 p -116.15 43.21 2.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 36.3 p -119.82 39.26 3.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.123 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG2' ' CA ' ' A' ' 21' ' ' GLY . 1.7 tppt? -82.62 155.32 24.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 m -87.42 -46.6 9.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -113.06 111.81 22.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -113.25 140.39 48.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 t -68.78 164.67 21.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -110.62 -27.48 8.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 6.4 mm-40 -71.5 -45.04 63.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.8 p -116.58 -40.49 3.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.38 28.72 6.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.449 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 40.2 mtt-85 -71.65 176.98 4.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.426 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . . . -127.78 130.38 6.7 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.491 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.497 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 79.0 m-85 -133.34 127.28 33.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.917 0.389 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.8 m -62.01 -48.71 79.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 ' CE1' ' A' ' 27' ' ' HIS . 66.5 mt -95.1 122.41 37.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.54 -49.18 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.0 p -47.67 -55.94 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.482 ' CE1' HD12 ' A' ' 24' ' ' LEU . 28.4 m170 -41.13 -62.68 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.1 tp -46.46 -57.26 4.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -42.97 -58.53 2.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -56.92 -34.94 68.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 5.4 t60 -66.39 -54.58 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -41.59 -24.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.822 ' HA ' HG22 ' A' ' 36' ' ' THR . 46.2 mtp180 -54.55 -43.62 72.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 31' ' ' HIS . 22.0 pt -46.22 -29.23 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 62.3 m-70 -84.75 -34.74 22.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.822 HG22 ' HA ' ' A' ' 33' ' ' ARG . 12.2 t -97.15 173.33 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.0 -78.28 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 39' ' ' LYS . 28.3 mt-10 -117.15 95.12 4.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.955 0.407 . . . . 0.0 110.885 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.4 OUTLIER -37.01 145.58 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -172.63 0.6 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.307 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m 63.98 45.61 4.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 159.24 62.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -23.73 30.7 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.355 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 81.8 p 41.82 42.52 2.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.876 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 m -106.17 132.69 51.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.492 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 m -86.82 41.78 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.899 0.38 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -87.28 171.37 10.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.61 138.58 8.09 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -68.58 -56.72 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 t -134.73 82.38 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.92 -54.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.9 p -64.31 -43.62 94.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.6 p -131.0 89.27 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 86.1 m -94.55 85.76 4.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' ' CA ' ' A' ' 21' ' ' GLY . 9.1 tptp -111.39 142.35 43.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -69.22 -48.22 62.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.524 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 24.2 m-70 -112.69 94.22 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -108.44 142.09 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.961 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.536 ' HA ' HD11 ' A' ' 28' ' ' LEU . 16.7 t -74.27 162.98 28.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -110.37 -26.15 9.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 13.0 mm-40 -72.0 -45.75 59.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.3 p -114.71 -41.97 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.06 31.99 4.53 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mtt85 -77.33 169.19 18.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' CA ' ' HG2' ' A' ' 11' ' ' LYS . . . -122.55 133.91 9.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -134.46 139.67 45.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.95 0.405 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.1 m -72.05 -45.7 59.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -95.35 131.53 41.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 4.3 tppp? -52.56 -40.96 63.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.5 p -56.3 -46.24 79.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -48.76 -63.82 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.536 HD11 ' HA ' ' A' ' 15' ' ' CYS . 37.7 tp -49.94 -57.22 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -41.56 -62.34 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' HG3' ' CZ ' ' A' ' 33' ' ' ARG . 45.0 tt0 -57.98 -37.4 74.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.47 ' O ' HG23 ' A' ' 34' ' ' ILE . 4.4 t60 -60.02 -41.51 92.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -50.51 -17.49 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.47 ' CZ ' ' HG3' ' A' ' 30' ' ' GLN . 87.2 mtt180 -62.0 -31.52 71.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG23 ' O ' ' A' ' 31' ' ' HIS . 14.2 pt -62.43 -8.38 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.3 m-70 -113.53 19.42 16.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 50.2 p -109.43 -19.49 13.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.34 -72.44 0.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -51.84 103.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm -109.87 72.75 0.64 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.56 0.695 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.17 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.604 2.203 . . . . 0.0 112.36 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -163.58 172.46 14.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.33 141.71 41.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.443 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 104.62 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.8 m -75.24 157.21 34.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.1 m 63.6 42.17 6.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.491 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -94.18 149.3 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.9 p -53.44 101.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.59 157.04 21.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.474 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -71.08 -44.4 65.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.87 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -40.38 139.59 0.74 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.868 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.98 -141.8 7.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.0 t -128.19 104.6 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.354 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 p -149.41 169.61 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.5 t -129.14 152.61 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -110.58 153.15 25.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -70.55 -55.73 8.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 56.1 m-70 -109.93 107.9 17.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -108.98 140.84 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.95 163.57 27.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -110.37 -27.65 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.528 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 16.2 mm-40 -68.05 -44.39 76.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.7 p -119.64 -41.4 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.35 32.35 4.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtp85 -76.69 170.32 16.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.5 130.41 7.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 71.2 m-85 -132.3 127.14 34.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.943 0.402 . . . . 0.0 110.909 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -55.31 -57.67 10.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.3 mt -86.95 148.09 25.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 33.8 tptt -63.28 -43.86 96.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.8 p -57.66 -36.84 72.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -54.34 -55.15 31.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.3 -50.45 73.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -48.74 -54.95 12.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.21 -34.89 72.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.489 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.0 t60 -63.22 -49.9 72.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -45.61 -25.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -50.04 -18.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.489 HG23 ' O ' ' A' ' 31' ' ' HIS . 20.1 pt -80.9 -31.99 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 71.0 m-70 -86.52 -33.18 20.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 37' ' ' GLY . 9.9 t -94.39 -42.94 8.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.448 ' N ' HG23 ' A' ' 36' ' ' THR . . . 45.32 -171.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.539 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -94.37 87.79 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -145.73 158.86 48.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.524 0.678 . . . . 0.0 110.934 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 4.85 1.95 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -50.06 -56.32 11.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.868 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -53.47 -75.15 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.468 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.3 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' PRO . 23.8 t -34.42 -48.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -133.8 140.8 47.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.489 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.436 -0.266 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 3' ' ' SER . 27.6 m -94.27 -52.47 4.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.933 0.397 . . . . 0.0 110.861 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 2' ' ' SER . 56.1 p 35.48 42.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.94 86.49 0.48 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -135.29 107.59 7.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.867 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -87.73 174.25 8.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.34 63.48 1.08 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.481 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 10' ' ' THR . 27.6 p -137.8 115.5 11.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 p 49.65 43.82 24.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.434 HG23 ' O ' ' A' ' 8' ' ' SER . 45.6 p -117.65 108.41 15.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 12' ' ' SER . 12.1 ttmt -119.28 168.14 11.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LYS . 39.5 t -34.1 -58.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 11.5 m-70 -98.09 82.75 3.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -97.75 138.84 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 t -73.33 159.97 32.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -111.82 -20.19 12.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.461 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.3 mm-40 -73.55 -34.81 65.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.9 p -131.32 -40.24 1.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.91 57.05 0.87 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.4 mtt180 -102.27 147.34 26.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 0.0 110.894 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -101.26 114.38 4.96 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -114.72 135.72 53.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 97.5 m -71.91 -49.56 36.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CE1' ' A' ' 27' ' ' HIS . 83.5 mt -93.03 135.8 33.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -52.9 -42.59 65.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.933 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.2 t -56.8 -51.73 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' CE1' HD12 ' A' ' 24' ' ' LEU . 15.0 m170 -39.48 -64.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 tp -51.72 -53.28 41.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -41.77 -60.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -59.58 -36.06 75.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' ILE . 6.3 t60 -61.02 -51.01 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -42.25 -26.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.413 ' O ' HG22 ' A' ' 36' ' ' THR . 73.8 mtm180 -54.68 -44.13 73.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 31' ' ' HIS . 12.8 pt -49.64 -20.96 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.461 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 75.3 m-70 -98.42 -25.08 14.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 37' ' ' GLY . 1.0 OUTLIER -42.68 -38.09 1.94 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 36' ' ' THR . . . 82.51 158.63 24.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.51 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' LYS . 32.3 mp0 -95.4 138.59 32.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.924 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 11.6 ttmm 37.32 54.7 3.41 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.884 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.6 Cg_endo -69.8 1.68 4.24 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.6 p -54.37 123.73 13.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.99 169.06 0.83 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 104.8 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.683 2.256 . . . . 0.0 112.315 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.8 p -129.47 172.98 10.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.2 p -74.29 132.74 42.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.466 -179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.7 m -96.28 84.15 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.87 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -81.94 97.81 8.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.36 140.76 11.79 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -107.91 122.74 47.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -172.3 140.75 1.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.32 167.71 29.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.516 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.5 p -95.83 44.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -64.05 157.81 24.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.8 p -153.84 138.62 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' SER . 23.8 tttt -109.44 161.86 14.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' LYS . 71.3 m -34.56 -57.19 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 29.5 m-70 -120.73 102.98 8.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -98.07 134.37 41.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.9 t -72.62 160.37 32.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -110.08 -25.2 10.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.8 mm-40 -67.45 -39.55 85.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 24.8 p -125.47 -40.31 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.78 24.06 5.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -72.58 170.84 13.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -133.16 135.68 8.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -134.55 145.48 48.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.969 0.414 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.2 m -71.92 -58.09 3.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 27' ' ' HIS . 29.9 mt -87.96 138.77 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 3.2 tppp? -53.39 -45.08 69.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.1 t -51.42 -46.98 63.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.53 ' CE1' HD12 ' A' ' 24' ' ' LEU . 48.6 m170 -49.33 -60.43 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 32.6 tp -56.18 -48.36 76.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -47.01 -54.0 11.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -64.12 -31.56 72.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.533 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.2 t60 -66.76 -50.41 62.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -44.25 -24.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 -56.61 -41.95 77.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.706 HD11 ' CE1' ' A' ' 35' ' ' HIS . 15.5 pt -46.68 -29.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.706 ' CE1' HD11 ' A' ' 34' ' ' ILE . 28.8 m-70 -96.78 -31.97 12.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.5 m -54.68 101.93 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.131 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.44 110.37 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -115.06 150.48 35.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.925 0.393 . . . . 0.0 110.875 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -124.58 81.73 59.93 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.56 0.695 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 175.78 7.67 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.317 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 m -83.62 168.73 16.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.5 126.42 35.36 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.529 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -17.36 37.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.7 m 59.32 43.16 17.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.0 m -65.54 -42.76 91.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.498 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.7 p -150.85 152.77 34.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -111.46 169.91 8.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.14 122.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -157.32 133.28 9.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.923 0.392 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -118.2 149.52 40.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.55 126.38 1.26 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.524 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.1 t -109.61 41.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.92 0.39 . . . . 0.0 110.866 -179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.6 t -76.49 127.38 32.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 82.3 m -88.05 144.87 26.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.125 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 179.08 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.1 p -133.96 -44.41 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CD2' ' A' ' 28' ' ' LEU . 62.1 m-70 -98.82 81.88 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.433 ' CG ' ' O ' ' A' ' 20' ' ' ARG . 7.9 tt0 -91.48 146.71 23.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 t -84.71 158.16 20.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.2 m80 -110.36 -20.55 12.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 5.3 mm-40 -73.1 -38.75 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -125.17 -38.75 2.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.3 51.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 28.2 mtt180 -95.61 175.75 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.03 113.05 1.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 67.9 m-85 -119.13 119.48 34.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.924 0.392 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.5 m -54.86 -52.2 63.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' CE1' ' A' ' 27' ' ' HIS . 22.0 mt -90.01 149.18 22.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -62.45 -56.01 22.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.872 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -43.25 -42.58 4.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' CE1' HD12 ' A' ' 24' ' ' LEU . 41.3 m170 -52.25 -55.8 18.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.406 ' CD2' ' HB3' ' A' ' 13' ' ' HIS . 24.1 tp -60.6 -47.45 86.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -54.23 -59.89 4.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.434 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 42.5 tp60 -60.26 -15.55 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.664 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.5 t60 -84.54 -48.04 9.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -51.89 -25.1 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 20.3 mmm-85 -51.89 -22.88 4.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.664 HG23 ' O ' ' A' ' 31' ' ' HIS . 8.5 pt -70.5 -34.93 59.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 69.6 m-70 -84.64 23.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.833 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -73.67 -33.94 64.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -131.4 -103.22 0.93 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.64 145.03 34.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -105.71 128.18 26.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.581 0.705 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 147.67 63.88 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.1 m -89.76 124.64 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -133.84 158.09 23.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 103.29 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.371 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 45' ' ' SER . 3.0 m -142.9 152.7 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' SER . 52.3 p 34.4 44.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.863 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.496 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -94.21 149.85 20.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 p -100.59 93.53 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.73 -137.89 1.73 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.46 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -104.78 -50.0 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.4 t -44.65 124.84 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.849 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.88 168.83 25.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.5 t -158.71 131.2 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.885 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' THR . 64.9 p -75.07 -49.65 19.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' SER . 33.1 m -34.56 113.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 12' ' ' SER . 9.6 ttpp -140.68 145.02 35.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.468 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 3.5 t -107.96 -42.67 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' ' 25' ' ' LYS . 18.8 m-70 -124.34 143.13 50.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.819 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -127.52 143.08 51.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 27.9 t -82.15 150.74 27.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.79 -16.73 14.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.848 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.7 mm-40 -72.8 -41.1 65.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 p -121.49 -38.11 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.38 36.85 2.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.493 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -91.55 171.96 8.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.25 135.22 8.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -132.98 137.81 46.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.9 p -65.81 -56.61 11.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.731 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.1 mp -88.42 144.53 26.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HA ' ' CD2' ' A' ' 13' ' ' HIS . 18.5 tptp -59.96 -43.26 95.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -52.36 -43.92 64.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.731 ' CE1' HD13 ' A' ' 24' ' ' LEU . 50.5 m170 -53.12 -59.75 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.822 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 13' ' ' HIS . 18.8 tp -57.27 -47.0 82.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -52.82 -55.35 23.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -68.87 -8.72 46.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 34' ' ' ILE . 5.9 t60 -89.51 -40.95 12.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 36' ' ' THR . 42.6 mt-30 -57.02 -13.05 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 9.3 mmm180 -64.89 -16.54 63.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.494 HG13 ' CE1' ' A' ' 35' ' ' HIS . 11.1 pt -77.03 -12.94 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 34.0 m-70 -114.07 -31.18 6.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.837 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 32' ' ' GLN . 77.6 p -51.61 119.31 4.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.92 -142.73 17.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -76.53 147.39 37.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.92 0.39 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 40' ' ' PRO . 34.1 pttt -113.09 100.76 52.18 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 39' ' ' LYS . 53.0 Cg_endo -69.76 -6.11 17.81 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.336 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.7 m -54.52 151.99 7.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.08 -87.07 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 165.52 30.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.705 2.27 . . . . 0.0 112.331 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 65.3 m -110.09 142.91 40.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 46' ' ' GLY . 59.9 p -141.08 175.23 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 45' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.084 -0.842 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -98.59 -46.97 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.358 . . . . 0.0 110.857 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -115.47 -60.9 1.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.98 -65.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -42.37 113.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.856 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.0 p -112.13 41.75 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 -83.96 1.07 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.0 m -89.54 88.88 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' SER . 33.4 p -36.67 -54.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 74.9 p -117.1 171.08 8.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.165 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.09 163.93 31.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.918 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -90.45 -54.62 3.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.609 ' CE1' ' CE ' ' A' ' 25' ' ' LYS . 28.9 m-70 -109.14 125.58 52.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -122.09 136.66 54.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' CD ' ' A' ' 14' ' ' GLN . 11.7 t -72.13 154.22 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -108.34 -18.28 13.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 47.1 mm-40 -74.52 -39.43 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -124.1 -39.27 2.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 52.53 1.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.528 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mtt180 -98.58 172.24 7.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 0.0 110.896 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -126.08 120.8 3.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 87.5 m-85 -122.4 132.35 54.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.964 0.411 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.0 m -68.78 -49.7 56.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.143 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.1 mt -95.24 132.01 40.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.609 ' CE ' ' CE1' ' A' ' 13' ' ' HIS . 3.2 tppp? -46.43 -56.0 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.8 p -40.51 -56.05 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -40.46 -65.12 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 13' ' ' HIS . 14.7 tp -48.52 -48.72 38.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.66 -54.05 43.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.474 ' O ' ' CG ' ' A' ' 33' ' ' ARG . 1.7 tp60 -66.22 -7.35 17.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.958 ' O ' HG23 ' A' ' 34' ' ' ILE . 7.4 t60 -95.48 -46.17 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -51.98 -31.35 28.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 30' ' ' GLN . 4.4 ptm180 -54.68 -22.44 13.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.958 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.3 pt -66.28 -24.42 33.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 79.3 m-70 -92.45 22.91 4.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 36' ' ' THR . 3.9 t -172.55 118.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.175 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.17 -76.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -99.69 132.02 45.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.936 0.398 . . . . 0.0 110.891 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.2 ptmm? -110.06 77.62 1.18 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -28.14 25.43 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.659 2.239 . . . . 0.0 112.325 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.1 t -172.36 118.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 178.67 -175.75 47.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -91.28 161.66 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.5 m -103.35 170.19 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.467 -179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.4 p -55.86 145.77 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.845 0.355 . . . . 0.0 110.857 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 p -160.46 171.21 19.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.89 176.91 26.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.549 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -128.74 42.55 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -90.49 44.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.845 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.64 51.57 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 46.4 t -105.03 37.88 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.811 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.1 p -92.59 46.78 1.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.408 ' O ' HG23 ' A' ' 10' ' ' THR . 13.5 t -96.96 40.8 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.33 148.27 1.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -88.32 -56.64 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.4 ' ND1' ' HD2' ' A' ' 25' ' ' LYS . 36.2 m-70 -109.24 105.01 14.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -111.16 142.41 43.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 48.0 t -78.54 160.06 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -110.56 -25.29 10.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 46.6 mm-40 -67.72 -40.87 84.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -122.76 -39.8 2.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.25 21.99 7.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -71.65 163.95 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.824 0.345 . . . . 0.0 110.852 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.05 140.42 12.71 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -138.58 139.95 38.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.936 0.398 . . . . 0.0 110.903 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 51.6 m -74.58 -49.36 22.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 27' ' ' HIS . 16.3 mt -94.45 120.14 34.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.946 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HD2' ' ND1' ' A' ' 13' ' ' HIS . 13.2 tptm -38.67 -47.82 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 25.0 p -47.44 -51.99 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.544 ' CE1' HD12 ' A' ' 24' ' ' LEU . 54.1 m170 -45.9 -63.28 1.01 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.825 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.1 tp -51.86 -58.78 5.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -39.67 -56.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -60.81 -39.59 89.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.488 ' CE1' HD11 ' A' ' 34' ' ' ILE . 8.5 t60 -59.59 -41.62 90.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -48.68 -22.98 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 58.0 mtm180 -55.01 -41.45 71.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.488 HD11 ' CE1' ' A' ' 31' ' ' HIS . 6.1 pt -58.83 -11.34 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 86.0 m-70 -111.19 -27.28 8.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 51.4 p -60.85 151.47 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.84 75.99 0.58 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.441 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -130.37 164.89 23.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.941 0.401 . . . . 0.0 110.829 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -155.09 133.62 7.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.558 0.694 . . . . 0.0 110.86 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -50.23 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.238 . . . . 0.0 112.39 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -151.25 117.96 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.49 84.23 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.44 28.55 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t 58.88 43.29 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.0 t -171.82 162.1 6.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.498 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -113.84 42.12 2.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.2 p -140.9 125.66 18.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.92 49.36 6.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -129.33 82.01 2.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.3 t -126.96 85.26 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.49 65.6 0.59 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.1 m -134.49 -45.09 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -99.7 127.2 45.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 41.2 p -113.92 155.49 25.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -148.86 144.27 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 11' ' ' LYS . 18.1 t -37.76 -47.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 14.0 m-70 -124.57 99.1 6.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.874 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -100.51 138.96 36.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 33.2 t -71.28 161.94 30.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -110.27 -24.35 10.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.83 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.56 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 41.1 mm-40 -71.86 -42.17 67.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -121.22 -41.17 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.08 29.34 4.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -75.72 166.63 23.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.855 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -124.53 129.73 7.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 66.3 m-85 -131.21 119.96 22.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.906 0.384 . . . . 0.0 110.896 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.2 m -56.3 -45.71 80.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD12 ' CE1' ' A' ' 27' ' ' HIS . 36.1 mt -91.18 136.52 33.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 15.8 tptm -58.39 -46.69 85.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 p -53.69 -48.75 69.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD12 ' A' ' 24' ' ' LEU . 36.1 m170 -45.98 -61.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 tp -51.7 -49.48 62.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -46.19 -54.7 8.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -64.43 -28.39 69.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 7.5 t60 -69.34 -54.37 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -43.06 -23.55 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.418 ' N ' ' C ' ' A' ' 31' ' ' HIS . 27.0 mtp180 -54.22 -42.04 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.404 HD11 ' NE2' ' A' ' 35' ' ' HIS . 21.3 pt -48.94 -29.38 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 60.8 m-70 -94.6 -33.15 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 95.1 m -58.56 121.91 12.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.74 97.72 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -89.39 81.64 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.921 0.391 . . . . 0.0 110.85 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.6 tttt -128.67 75.91 79.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.565 0.698 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.66 33.62 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 t -106.59 106.67 17.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 72.78 142.78 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.486 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 158.66 56.22 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.74 2.293 . . . . 0.0 112.333 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.1 t -159.79 142.91 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 m -82.65 141.85 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.094 -0.837 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t -103.83 42.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -145.96 158.92 43.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.56 -78.94 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -153.68 106.08 2.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 110.835 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -121.09 84.29 2.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 179.65 30.9 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.4 p -112.88 128.31 56.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m -118.4 150.87 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 66.0 p -84.45 45.19 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HG2' ' N ' ' A' ' 22' ' ' PHE . 9.0 tppt? -102.09 137.5 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.5 t -81.38 -64.0 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.615 ' HB3' HD22 ' A' ' 28' ' ' LEU . 6.3 m-70 -68.27 81.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -107.34 131.27 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -75.85 149.99 37.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -105.04 -15.81 14.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 8.0 mm-40 -74.86 -40.2 61.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.3 p -122.41 -38.09 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 106.54 30.32 4.4 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.534 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.497 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 43.7 mtt180 -81.23 165.94 21.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -132.84 131.18 6.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.519 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.44 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 75.4 m-85 -126.31 154.65 43.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.913 0.387 . . . . 0.0 110.87 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 95.9 m -84.0 -40.82 17.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 34.1 mt -107.05 151.85 24.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.595 ' HG2' ' CE1' ' A' ' 13' ' ' HIS . 11.4 mmmt -58.75 -64.87 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 25' ' ' LYS . 58.1 m -34.01 -42.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.818 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 24' ' ' LEU . 59.9 m170 -57.21 -60.65 3.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.615 HD22 ' HB3' ' A' ' 13' ' ' HIS . 3.4 tp -66.74 -51.52 54.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -49.51 -39.18 33.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -81.31 -21.89 38.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.497 ' CE1' ' HD2' ' A' ' 20' ' ' ARG . 9.5 t60 -76.4 -44.16 37.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -49.48 -18.47 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.5 mtp180 -61.0 -34.24 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 31' ' ' HIS . 10.7 pt -63.26 -9.42 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 81.2 m-70 -114.92 20.01 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.3 p -126.0 -42.55 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.128 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -123.94 -38.59 0.53 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.409 ' CD ' ' HD3' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -66.12 116.42 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.881 -179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -115.0 83.08 9.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.598 0.713 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.409 ' HD3' ' CD ' ' A' ' 38' ' ' GLU . 54.3 Cg_endo -69.7 -48.14 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.705 2.27 . . . . 0.0 112.346 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 m 41.41 46.21 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.868 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.35 -76.22 0.26 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 44' ' ' SER . 53.2 Cg_endo -69.78 0.06 6.21 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.746 2.297 . . . . 0.0 112.323 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 43' ' ' PRO . 26.6 m 34.2 42.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.5 p -91.25 175.32 6.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.469 180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 t -127.02 90.39 3.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.5 p -84.59 42.12 0.89 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.99 124.72 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.4 t -99.52 -62.34 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -120.88 88.2 2.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.71 -64.43 0.64 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 51.2 m -58.54 113.18 1.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.92 0.39 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -100.74 146.95 26.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.2 t -120.17 144.58 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 12' ' ' SER . 14.0 tptt -126.21 159.94 31.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 11' ' ' LYS . 50.2 m -36.28 -53.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.816 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.506 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 21.1 m-70 -100.97 81.85 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.837 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -91.67 143.47 26.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 10.4 t -75.28 160.2 30.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -111.71 -21.03 11.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 35.6 mm-40 -75.23 -42.14 56.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.8 p -119.91 -40.15 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.22 34.15 4.03 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -81.68 165.88 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.76 126.34 6.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.493 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 65.6 m-85 -126.11 135.62 51.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.899 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.9 p -65.02 -57.65 8.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.003 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.2 mp -84.7 150.25 25.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 38.2 tptt -69.9 -31.29 69.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 p -70.74 -24.21 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 1.003 ' CE1' HD13 ' A' ' 24' ' ' LEU . 36.1 m170 -68.37 -56.29 9.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.8 tp -54.93 -44.76 74.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -55.19 -58.82 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' C ' ' HG2' ' A' ' 33' ' ' ARG . 4.7 tp60 -57.42 -18.36 17.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.572 ' O ' HG23 ' A' ' 34' ' ' ILE . 10.6 t60 -86.2 -41.86 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -58.74 -16.06 14.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 17.3 mmm180 -62.94 -12.71 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.572 HG23 ' O ' ' A' ' 31' ' ' HIS . 7.2 pt -83.71 -26.89 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.157 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 80.8 m-70 -87.38 12.39 12.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.1 t -158.06 135.04 9.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -135.37 -142.26 4.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -122.16 12.21 10.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.927 0.394 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.45 132.09 24.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 136.9 34.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.659 2.239 . . . . 0.0 112.353 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.3 t -100.88 -41.66 6.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 152.95 -88.17 0.13 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 175.5 8.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.1 p 45.09 43.72 7.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.8 t 51.97 38.5 23.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.468 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -59.04 -44.55 91.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.878 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -60.39 165.54 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.83 -117.17 0.39 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.0 p -92.67 175.47 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -82.24 88.04 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.822 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.22 -151.27 48.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.4 t -114.51 167.19 10.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.339 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 10' ' ' THR . 68.6 p 38.51 41.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.816 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' SER . 38.3 m -37.76 -51.6 1.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.497 ' HD3' HG23 ' A' ' 23' ' ' THR . 22.9 ttmt -128.95 165.72 20.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -34.82 -49.22 0.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.556 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 39.0 m-70 -130.43 114.49 15.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 15.3 tt0 -110.51 146.51 35.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.454 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 29.6 t -73.76 162.26 29.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -111.91 -21.26 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.546 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 4.1 mm-40 -75.84 -44.54 40.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -115.16 -38.44 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.63 25.55 6.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 14' ' ' GLN . 29.2 mtt180 -77.52 173.55 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.4 145.82 17.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.451 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -144.56 124.55 13.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.993 0.425 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.536 ' OG1' HD12 ' A' ' 24' ' ' LEU . 23.4 p -54.35 -53.76 49.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.699 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.3 mp -86.5 139.79 30.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' CE1' ' A' ' 13' ' ' HIS . 20.0 tptm -63.92 -34.33 77.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.5 p -63.82 -38.91 92.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' HD13 ' A' ' 24' ' ' LEU . 21.7 m170 -54.75 -63.04 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 31' ' ' HIS . 24.9 tp -48.2 -59.72 3.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 28' ' ' LEU . 59.2 t-20 -35.63 -56.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -62.12 -37.61 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.462 ' N ' ' O ' ' A' ' 28' ' ' LEU . 8.1 t60 -62.2 -45.92 91.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -49.12 -18.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 50.2 mtp85 -58.61 -32.61 69.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 16.0 pt -62.53 -9.83 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 77.6 m-70 -112.44 -29.38 7.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 71.7 p -56.65 125.55 22.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.07 -162.84 36.35 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -165.42 119.67 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.923 0.392 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -46.92 134.43 8.46 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.599 0.714 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 128.91 16.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.709 2.273 . . . . 0.0 112.316 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.9 p -67.88 -61.02 2.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -40.84 126.79 3.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -173.14 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -166.31 124.67 1.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.832 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 p -62.39 -53.3 56.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -70.46 84.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -168.7 132.32 1.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.15 -136.32 9.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -98.02 164.53 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.3 t -148.37 149.82 32.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.76 -150.29 5.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.8 m -116.23 -44.59 2.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.0 m -131.49 -71.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.1 p -143.89 168.67 19.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 12' ' ' SER . 9.9 ttpp -138.72 143.09 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' N ' ' HG2' ' A' ' 11' ' ' LYS . 17.4 m -119.17 -35.33 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -117.69 134.0 55.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.465 ' HG2' ' N ' ' A' ' 15' ' ' CYS . 38.9 tt0 -125.84 151.38 46.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' N ' ' HG2' ' A' ' 14' ' ' GLN . 21.9 t -82.51 162.79 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -115.76 -18.65 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 3.4 mm-40 -77.56 -40.32 42.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -121.44 -34.45 3.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.28 22.57 10.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.408 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 33.9 mtt-85 -73.38 164.28 26.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 110.812 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.49 132.27 8.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD2' ' HA ' ' A' ' 28' ' ' LEU . 73.6 m-85 -133.82 123.39 24.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.926 0.393 . . . . 0.0 110.869 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 m -62.01 -50.1 73.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.757 HD13 ' CE1' ' A' ' 27' ' ' HIS . 6.4 mp -84.84 134.17 34.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -57.57 -37.33 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -61.08 -44.0 98.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.757 ' CE1' HD13 ' A' ' 24' ' ' LEU . 38.8 m170 -52.91 -59.3 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 17.0 tp -51.49 -46.43 63.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -58.1 -55.49 34.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.65 -10.45 18.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.531 ' O ' HG23 ' A' ' 34' ' ' ILE . 13.1 t60 -89.28 -41.62 12.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -58.46 -11.7 3.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 33' ' ' ARG . 21.4 mmm-85 -64.04 -18.68 64.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 HG23 ' O ' ' A' ' 31' ' ' HIS . 2.5 pt -81.28 -28.11 10.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 66.6 m-70 -90.57 -29.5 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -68.24 -25.8 65.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -56.45 -39.73 84.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -88.99 177.33 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 110.921 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.39 103.79 15.3 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 102.62 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 t -126.73 88.41 2.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -124.67 167.99 16.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -3.28 11.69 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.358 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.4 t -79.84 101.9 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.3 t -74.32 176.63 6.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.485 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_