data_2dlz_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 2dlz _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 ' 11' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 12' ' ' ASP . 27.9 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.773 0.32 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.402 ' N ' HG23 ' A' ' 11' ' ' ILE . 29.4 t0 -88.79 102.51 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -75.05 -21.73 58.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 40.3 p -79.99 7.71 8.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -20.04 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.713 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.2 m-85 -84.46 152.12 60.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -28.28 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.713 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -80.49 14.03 2.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 14' ' ' THR . 13.6 t80 -90.79 131.81 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' HD12 ' A' ' 41' ' ' LEU . . . -112.94 -44.99 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.21 -141.22 16.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.8 p30 -94.0 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.406 ' HG2' ' NH1' ' A' ' 43' ' ' ARG . 4.1 ptm -68.26 -178.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.58 119.86 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -39.82 -64.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -47.08 -41.99 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -61.89 -34.43 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 m -64.87 -51.22 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -71.64 -12.09 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.29 -38.7 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -86.02 -37.3 19.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 mt -67.97 -55.58 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -43.2 -41.95 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -70.47 -39.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 39' ' ' THR . 8.0 m-70 -53.57 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.93 -179.85 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -84.83 35.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.39 14.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -88.01 117.92 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.0 p90 -116.39 161.05 19.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' ILE . 1.2 pp -161.7 157.49 24.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.8 mp -120.63 118.86 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' NH1' ' HG2' ' A' ' 23' ' ' MET . 0.1 OUTLIER -115.5 164.36 14.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.926 0.393 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -160.61 150.43 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.29 164.39 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.0 mt -137.74 125.33 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -121.71 123.75 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.51 134.92 61.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -81.95 108.16 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 27.0 t80 -148.57 134.39 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 11.9 t30 69.21 45.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 43.81 32.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -149.82 125.39 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.83 111.05 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -94.57 140.82 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -120.68 113.88 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.4 mt -99.52 150.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -105.61 143.19 34.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.0 t -107.39 136.32 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.9 125.84 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.19 104.66 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -140.64 149.58 42.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 73' ' ' TRP . 29.0 m-20 55.35 38.63 30.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.594 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 8.6 m120 58.95 28.77 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.594 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 10.2 m95 -125.65 162.07 25.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.94 124.28 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -159.56 175.58 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 77' ' ' THR . 37.8 pt -127.33 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 10.9 t 47.19 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.64 50.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.2 -25.85 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.3 tmtp? -161.42 125.83 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 2.8 pptp? -83.84 148.41 27.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 38.5 m-85 -144.54 138.87 27.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.65 -35.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -174.37 172.9 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.14 -51.52 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.3 tp -43.06 -53.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -50.53 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.1 tt -51.26 -38.27 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.402 HG12 ' CD1' ' A' ' 108' ' ' LEU . 58.0 t -71.35 -52.93 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.97 -26.59 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 61.3 t80 -68.45 -52.61 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.78 -27.45 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -49.47 -23.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 70.2 m -121.1 -31.8 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -99.96 127.6 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t -52.14 155.02 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -86.64 12.79 9.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -64.96 -38.85 92.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.11 -47.7 34.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -82.3 -42.15 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -133.15 97.71 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -47.99 -51.37 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -50.1 -33.44 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.8 117.67 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -129.91 94.4 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.486 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 14.7 t -167.27 169.17 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 95' ' ' HIS . 73.8 p -134.41 133.36 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 10.6 mt -37.79 103.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -94.76 -74.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.89 149.72 41.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.9 -176.35 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.625 2.217 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 113' ' ' SER . 2.5 p90 -80.05 -174.82 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 112' ' ' TYR . 29.4 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.876 0.37 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -104.25 95.38 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -78.3 -25.88 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.54 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 54.6 p -80.53 9.19 6.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.41 -22.22 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.698 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.9 m-85 -80.28 152.56 73.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.714 0.769 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -28.58 24.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.9 p-90 -79.35 12.06 2.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CZ ' HG23 ' A' ' 14' ' ' THR . 8.8 t80 -93.67 135.45 34.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.04 -47.72 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.24 -138.72 14.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.18 78.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.35 159.68 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 mt-10 -107.47 126.92 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' GLU . 13.0 mmm-85 -33.98 -47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -66.55 -49.74 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.35 -49.74 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.63 -12.59 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -88.95 -34.56 16.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -91.71 -33.55 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -68.25 -51.32 46.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' SER . 11.0 pttp -36.89 -44.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.6 t -68.64 -39.82 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.6 m-70 -59.28 -179.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.58 -175.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.2 m -84.07 16.79 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.11 1.15 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.0 m -79.53 124.18 28.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 14.5 p90 -126.27 158.41 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.37 162.1 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.94 117.86 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -125.51 155.19 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -114.16 175.85 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -149.9 129.79 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.462 ' CD1' HD21 ' A' ' 88' ' ' LEU . 18.4 mt -95.6 122.68 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.46 124.82 46.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.439 HD11 ' CG2' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.04 140.82 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -84.2 126.48 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 80.2 t80 -168.62 138.74 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 64.5 45.35 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 45.31 33.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -151.3 137.65 18.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.69 108.26 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 104' ' ' LEU . 6.4 mptt -84.21 144.28 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.21 107.77 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.22 151.62 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -111.87 121.96 46.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.977 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.44 112.93 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.63 130.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.02 104.52 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -133.68 149.96 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.3 m-20 48.8 45.82 21.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 29.0 t30 53.12 32.89 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.4 m95 -130.64 162.1 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.8 mt -129.56 126.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -156.33 -175.15 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 77' ' ' THR . 33.3 pt -143.26 145.33 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 11.4 t 44.22 25.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 43.22 43.86 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.24 -36.51 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -160.91 139.81 10.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -90.51 139.18 30.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -130.54 140.41 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.84 -27.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -175.21 -177.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.2 tp -62.68 -47.96 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -45.73 -54.81 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.79 -51.02 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 54' ' ' ILE . 6.9 tt -50.24 -42.56 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 50.2 t -67.66 -46.85 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -61.38 -24.12 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.452 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 18.2 t80 -71.75 -49.46 38.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -75.44 -20.99 58.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.953 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -56.17 -23.78 37.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.0 m -122.96 -28.58 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -102.1 133.81 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -60.18 153.59 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.445 ' CD1' HD21 ' A' ' 104' ' ' LEU . 7.8 mt -81.21 -11.96 59.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -44.18 -38.49 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -48.15 -49.4 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 m -81.74 -45.13 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.76 96.51 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -47.18 -37.34 9.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.01 -30.54 71.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 2.6 tp -100.9 105.56 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.64 90.42 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.7 t -164.53 160.93 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 95' ' ' HIS . 24.6 p -125.59 136.23 53.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 19.3 mt -42.23 96.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' THR . 71.0 mttt -87.71 -73.47 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -116.05 150.26 44.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -165.21 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -90.6 -176.32 4.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.477 ' N ' ' HE2' ' A' ' 35' ' ' HIS . 24.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.449 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.6 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.891 0.377 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -98.65 88.44 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.8 m-85 -72.96 -19.18 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.8 p -80.89 6.57 12.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -19.58 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.28 150.71 64.73 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.14 27.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.702 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.3 p-90 -83.35 15.32 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' A' ' 14' ' ' THR . 6.5 t80 -92.9 131.55 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -106.29 -56.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.31 -133.18 11.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -74.22 61.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.466 ' HE1' ' CD2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -83.19 159.03 22.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.6 mm-40 -105.47 127.69 53.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLU . 1.9 mpp_? -35.65 -43.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.42 -49.83 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -51.19 -46.75 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -60.57 -48.11 83.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.37 -10.85 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.62 -30.98 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 1.3 pp -93.13 -40.1 10.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.6 mt -64.42 -49.04 73.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -41.01 -30.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 t -84.76 -35.16 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LEU . 20.4 m-70 -58.35 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.41 -174.87 4.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -85.95 26.25 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.44 7.48 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -85.57 120.24 26.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 26.4 p90 -119.69 157.66 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -159.32 158.5 32.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.476 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.6 mp -126.15 122.07 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -113.83 174.67 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' ARG . 13.5 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.656 ' NE ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' ' NE ' ' A' ' 51' ' ' ARG . 20.1 m-85 -110.87 152.93 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.48 148.22 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.024 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 55' ' ' SER . 13.5 mt -116.43 143.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.427 ' N ' HG21 ' A' ' 54' ' ' ILE . 1.1 p -139.06 130.38 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.31 144.9 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HZ2' ' N ' ' A' ' 61' ' ' GLU . 11.9 tptp -86.6 119.13 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 11.6 t80 -167.77 146.14 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.7 t-20 69.57 40.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 49.33 26.38 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' N ' ' HZ2' ' A' ' 57' ' ' LYS . 2.8 mm-40 -150.7 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.21 110.72 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 35.4 mmtt -88.26 151.82 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -131.85 104.14 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.78 140.58 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -105.62 122.21 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.9 t -82.13 161.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 t -136.41 131.38 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.31 103.67 11.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -141.51 149.62 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.6 t70 57.26 33.59 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 39.6 m-20 60.96 37.18 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 37.5 m95 -142.36 172.53 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.39 136.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -168.7 -174.99 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 77' ' ' THR . 41.3 pt -137.94 143.25 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 11.7 t 44.47 25.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 48.01 44.42 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.07 -33.13 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -169.68 124.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 123.75 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -113.6 158.21 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' A' ' 87' ' ' GLU . 14.1 t0 -59.73 -29.75 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -172.74 -176.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.9 tp -60.5 -50.92 71.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -44.2 -54.17 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 83' ' ' ASP . 23.5 mt-10 -54.66 -47.17 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.68 -40.09 82.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.92 -53.48 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.47 -27.87 62.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 83.3 t80 -67.0 -52.87 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -71.05 -28.48 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -46.55 -25.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.2 m -119.7 -30.85 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.52 127.05 45.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 106' ' ' THR . 1.6 t -53.06 155.31 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.88 9.73 15.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -63.49 -36.9 85.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -49.35 -47.26 47.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 t -79.7 -52.52 7.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -119.12 108.03 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -56.62 -21.2 25.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -86.26 -21.19 27.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp -105.25 108.44 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.76 94.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.408 ' N ' ' HG ' ' A' ' 96' ' ' SER . 10.3 t -172.96 164.35 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.405 HG22 ' C ' ' A' ' 95' ' ' HIS . 31.8 p -130.04 141.64 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 13.5 mt -46.36 97.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -85.74 -70.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.26 152.37 50.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.73 0.776 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -99.68 -175.04 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 2.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 36.5 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.12 83.95 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.7 m-85 -67.52 -19.48 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.552 HG22 ' CE2' ' A' ' 19' ' ' PHE . 44.2 p -83.21 6.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.47 -20.01 18.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.0 m-85 -79.76 151.26 73.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -27.92 25.82 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.9 p-90 -80.37 13.18 2.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 14' ' ' THR . 5.1 t80 -99.01 123.43 43.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.446 ' CB ' ' HE1' ' A' ' 23' ' ' MET . . . -98.39 -37.38 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.69 -143.81 16.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.91 56.12 2.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.331 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE1' ' CB ' ' A' ' 20' ' ' ALA . 28.9 ttp -83.06 155.39 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ARG . 26.7 mt-10 -95.84 137.16 35.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 17.4 ttp180 -34.99 -64.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -45.56 -55.28 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -49.65 -30.06 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -76.06 -46.91 26.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 62' ' ' VAL . 6.7 t0 -66.47 -26.96 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.439 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 30.7 m-20 -74.13 -35.1 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -92.33 -23.58 19.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' LYS . 13.7 mt -85.13 -49.03 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 11.8 ptmm? -37.74 -46.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -70.99 -40.67 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 39' ' ' THR . 8.8 m-70 -52.34 174.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.37 -177.62 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 m -85.68 23.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.78 -3.32 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 35' ' ' HIS . 81.9 m -72.2 116.46 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 111.13 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 15.5 p90 -117.09 162.17 18.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -170.73 167.0 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' N ' HD11 ' A' ' 41' ' ' LEU . 3.9 mp -130.54 117.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.79 157.0 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 20.3 ttm105 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -108.03 147.87 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.9 152.18 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.6 mt -121.5 126.77 75.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -122.45 111.45 16.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.03 131.16 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 61' ' ' GLU . 16.2 tptm -80.28 120.32 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -153.51 145.36 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 56.77 39.89 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.43 27.66 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.469 ' N ' ' HE2' ' A' ' 57' ' ' LYS . 52.4 mt-10 -147.55 131.61 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -87.18 115.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -88.04 147.16 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 72.9 m-70 -122.46 103.48 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mt -101.21 148.81 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.89 147.7 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.0 t -107.93 119.3 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -84.67 111.41 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' CG1' ' A' ' 74' ' ' ILE . 2.7 tt0 -108.24 102.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -147.96 149.75 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 87.6 m-20 57.2 42.33 25.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 54.14 31.06 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 29.6 m95 -127.38 154.77 44.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.403 ' CG1' ' HG3' ' A' ' 69' ' ' GLU . 10.0 mt -131.43 124.49 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -162.61 179.37 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' O ' ' CG2' ' A' ' 77' ' ' THR . 38.1 pt -136.84 146.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 13.2 t 44.38 25.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 44.78 48.95 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.09 -46.16 6.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -154.67 134.44 12.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 138.34 31.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -127.61 151.35 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.8 -23.73 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.0 m -172.3 178.75 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -62.43 -51.0 69.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.4 tp -41.65 -50.13 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.22 -46.39 82.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 4.3 tt -57.21 -53.08 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.4 t -57.14 -49.35 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.19 -24.07 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.435 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 22.8 t80 -69.42 -53.55 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -72.68 -25.64 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -49.62 -24.28 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.6 -32.27 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.02 130.2 44.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -54.24 159.64 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 mt -92.72 6.45 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -60.59 -31.88 71.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.12 -50.03 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.493 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.4 t -82.2 -46.58 13.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 46.1 m-85 -125.61 100.16 6.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -51.88 -28.49 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -73.91 -25.98 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.4 tp -106.07 92.2 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.27 80.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.2 t -154.3 173.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' LEU . 74.4 p -135.02 131.19 36.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -98.05 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.92 148.49 40.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.95 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -82.83 -177.1 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.89 97.3 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -79.15 -21.8 45.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 79.2 p -77.82 2.76 16.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.58 -28.47 19.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.658 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 65.6 m-85 -75.83 149.11 82.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -26.69 27.49 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.6 p-90 -82.15 14.5 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' HG21 ' A' ' 14' ' ' THR . 14.0 t80 -90.34 129.33 36.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -98.74 -59.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 81.9 109.0 0.39 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.6 p30 33.7 54.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 2.5 tpp -76.9 151.37 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.7 mm-40 -82.72 117.06 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -40.92 -28.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -82.5 -48.26 11.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -19.11 65.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -79.83 -44.99 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -80.14 -11.3 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -88.92 -35.32 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CD2' ' HE3' ' A' ' 23' ' ' MET . 1.7 pp -89.77 -37.02 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' HG21 ' A' ' 39' ' ' THR . 23.5 mt -65.92 -41.75 90.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.2 -24.97 12.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -84.91 -29.68 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -68.07 -178.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.29 -174.96 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 p -86.04 29.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.34 13.25 2.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.404 HG21 ' CD2' ' A' ' 32' ' ' LEU . 17.6 m -90.79 122.84 33.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.4 p90 -120.18 165.37 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -164.38 158.66 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.9 mp -127.97 117.76 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -116.6 174.86 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 15.0 mmt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 36.6 m-85 -164.23 147.45 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.8 141.12 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 88' ' ' LEU . 20.8 mt -111.11 122.22 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 124.46 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -134.54 143.81 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -88.19 116.56 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -155.12 130.71 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 69.34 40.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 50.19 33.5 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -149.39 133.01 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.79 106.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -89.16 130.26 35.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.34 114.39 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.09 107.09 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -71.2 112.48 7.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -76.58 110.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 75' ' ' HIS . 66.9 t -80.18 138.07 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.51 102.84 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -130.73 149.92 52.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.4 m-20 58.13 33.52 23.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.55 27.62 16.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 30.7 m95 -129.03 166.8 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mp -113.14 140.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 81' ' ' LYS . 5.3 p80 -167.1 168.03 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 77' ' ' THR . 24.8 pt -140.39 144.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 12.6 t 46.51 25.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 41.99 45.31 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.59 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.1 134.16 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.33 162.73 17.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.67 162.73 33.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -51.76 -31.88 28.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.497 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 26.5 p -163.49 -178.77 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 tp -73.06 -24.99 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 37.4 tp -68.93 -51.61 38.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -35.25 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 54' ' ' ILE . 6.6 tt -60.6 -41.3 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.8 -41.94 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.35 -26.88 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 28.0 t80 -74.2 -39.92 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -81.19 -24.68 37.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -56.32 -22.24 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.16 -28.37 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -106.37 148.03 28.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -72.65 149.68 43.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.09 0.41 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.14 -32.91 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -45.88 -42.76 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 m -92.63 -54.9 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -110.14 99.57 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.09 14.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -85.23 -18.22 34.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 tp -112.01 109.56 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.69 89.02 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 t -152.11 158.03 42.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 109' ' ' LYS . 26.6 p -128.74 131.5 47.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.52 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.9 mt -46.54 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' THR . 10.2 mtmm -83.73 -69.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -115.92 148.32 41.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -168.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -95.52 -174.83 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -85.23 104.29 14.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -82.77 -27.27 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 82.4 p -75.58 5.43 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.51 -25.8 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.058 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 71.1 m-85 -78.25 150.48 77.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.97 26.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.597 2.198 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.67 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.9 p-90 -81.95 13.27 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.6 t80 -86.19 124.39 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.07 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 83.51 106.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.4 p-10 33.74 55.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 3.3 tpp -83.81 152.47 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' MET . 5.8 mm-40 -96.75 123.92 40.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLU . 37.6 mtm180 -35.23 -68.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -44.63 -59.67 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -48.69 -32.19 8.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -73.29 -43.46 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.52 -11.73 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -88.88 -34.66 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 pp -90.87 -34.15 15.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' CB ' HG22 ' A' ' 62' ' ' VAL . 19.4 mt -71.21 -43.05 68.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -46.26 -33.39 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -82.67 -26.59 31.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.6 m-70 -65.86 179.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.85 -176.16 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -87.62 31.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.7 8.22 1.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -86.58 124.59 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 20.6 p90 -125.43 165.92 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -163.19 161.53 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.4 mp -126.42 111.63 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -105.12 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.4 tpp180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 37.2 m-85 -162.39 148.69 13.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.73 161.23 42.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mt -135.45 132.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -123.6 125.55 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -134.05 134.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -84.27 112.57 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 56.2 t80 -150.15 141.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 57.72 52.78 7.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 42.47 34.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -152.64 134.56 14.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 64' ' ' HIS . 39.2 t -89.61 104.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -83.77 136.97 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CD2' HG12 ' A' ' 62' ' ' VAL . 41.4 m-70 -115.01 129.02 56.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.59 143.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 1.1 mtmp? -103.16 103.05 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 52' ' ' PHE . 47.9 t -70.84 98.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 79.5 t -75.84 137.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.15 103.2 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 71' ' ' ASP . 15.8 ttmm -128.21 149.97 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 12.2 t70 56.89 34.76 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 92.3 m-20 60.89 32.75 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 28.7 m95 -137.27 151.73 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mp -97.1 141.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -169.26 165.1 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.1 pt -139.38 145.59 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t 42.69 25.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 40.73 48.44 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.3 -48.75 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -144.46 107.9 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -89.13 159.03 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 48.9 m-85 -136.19 159.53 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.18 -36.81 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -157.78 173.72 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.83 -37.15 86.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.3 tp -54.09 -54.37 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -57.75 -50.97 71.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -46.14 -33.1 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 108' ' ' LEU . 67.1 t -79.67 -49.62 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.6 -25.12 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.499 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 68.0 t80 -70.59 -50.79 33.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.467 ' CD2' HD23 ' A' ' 97' ' ' LEU . 26.6 m-85 -73.94 -21.29 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.91 -23.09 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.22 -25.25 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -106.29 132.99 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.442 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 41.7 t -53.78 156.85 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 92' ' ' TYR . 6.0 mt -88.25 3.52 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 99' ' ' GLU . 15.9 pttp -58.88 -39.83 82.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' LYS . 19.5 mt-10 -36.26 -47.53 0.59 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.8 t -98.04 -46.11 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.442 ' CB ' ' HB3' ' A' ' 104' ' ' LEU . 79.5 m-85 -114.26 83.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -44.09 -60.21 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.54 -32.25 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 3.2 tp -95.33 90.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 17.5 t70 -105.14 97.44 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.442 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 5.3 t -167.45 153.49 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.442 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 70.7 p -120.84 141.45 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.537 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.8 mt -53.21 99.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -91.97 -72.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -112.9 149.67 41.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.751 0.786 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -166.42 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.9 -178.6 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 89.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.08 91.37 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 7.8 m-85 -70.0 -36.7 75.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.521 ' HA ' ' CG ' ' A' ' 19' ' ' PHE . 69.4 p -66.74 -3.68 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.7 -21.66 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.695 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 88.0 m-85 -87.02 150.47 49.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -29.47 24.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.695 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -79.01 11.98 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CG ' ' HA ' ' A' ' 14' ' ' THR . 15.5 t80 -83.43 134.26 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' GLY . . . -125.54 -16.09 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 34.44 -138.39 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -61.46 76.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.463 ' HE1' ' CD2' ' A' ' 31' ' ' LEU . 2.0 tpp -100.12 150.87 22.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.1 mt-10 -79.93 128.74 33.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.11 -22.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -85.77 -41.38 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -47.19 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -52.91 -53.03 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.28 -30.12 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -69.19 -32.88 72.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 4.0 pp -93.2 -42.57 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 39' ' ' THR . 24.2 mt -61.87 -49.66 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -41.85 -41.48 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -74.94 -41.65 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' HE2' ' N ' ' A' ' 113' ' ' SER . 5.5 m-70 -54.4 179.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.0 -175.97 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 m -83.41 19.93 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.92 -4.46 5.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.463 HG21 ' CD2' ' A' ' 32' ' ' LEU . 55.2 m -76.76 124.53 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 108' ' ' LEU . 23.5 p90 -125.16 171.92 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 42' ' ' ILE . 1.4 pp -171.49 157.98 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.6 mp -119.89 112.86 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.98 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 13.6 m-85 -159.06 146.12 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.16 149.83 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 mt -120.15 126.69 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 64' ' ' HIS . 30.9 m -117.16 116.49 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -129.48 138.47 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -80.66 124.91 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 106' ' ' THR . 27.2 t80 -159.16 142.94 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.8 31.72 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.03 30.02 19.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -144.12 131.04 20.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 32' ' ' LEU . 46.3 t -81.81 109.35 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -89.97 157.54 17.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' CE1' ' OG ' ' A' ' 55' ' ' SER . 76.4 m-70 -139.83 113.09 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -99.67 151.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -106.52 103.34 12.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 52' ' ' PHE . 85.9 t -72.04 94.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.403 HG11 ' NE2' ' A' ' 75' ' ' HIS . 70.8 t -63.51 139.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -133.29 106.86 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -137.18 147.54 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.88 25.76 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 69.36 34.1 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 24.9 m95 -136.64 148.17 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -100.87 144.98 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.403 ' NE2' HG11 ' A' ' 68' ' ' VAL . 7.9 p80 -172.83 172.71 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLU . 45.5 pt -143.46 153.63 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 77' ' ' THR . 1.4 t 32.02 35.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.5 mt-10 34.66 50.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.88 -51.54 2.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -141.18 131.31 24.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -100.34 160.81 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HZ ' ' CD2' ' A' ' 91' ' ' TYR . 52.6 m-85 -144.73 158.93 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.71 -27.49 40.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 m -174.97 -175.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.21 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 tp -46.79 -55.9 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.53 -52.49 59.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 89' ' ' VAL . 3.7 tt -47.57 -42.78 24.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 88' ' ' LEU . 58.2 t -69.33 -58.11 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.24 -26.9 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.432 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 20.5 t80 -69.87 -48.12 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.47 -18.68 56.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.16 -21.77 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.4 t -125.36 -26.2 3.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.2 m170 -104.67 131.39 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -56.22 152.9 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.16 10.45 8.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -65.42 -32.98 74.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -48.88 -48.29 42.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.3 m -84.74 -51.46 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -117.66 100.15 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -55.31 -21.8 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.99 -23.54 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.86 101.88 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.23 94.02 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 58' ' ' PHE . 13.8 t -166.54 166.92 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 95' ' ' HIS . 32.6 p -132.97 131.52 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 40' ' ' TYR . 13.4 mt -40.8 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.02 -74.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.18 149.84 41.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.396 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -90.49 177.06 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.492 ' N ' ' HE2' ' A' ' 35' ' ' HIS . 51.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.426 ' CG2' HD21 ' A' ' 86' ' ' LEU . 43.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -95.74 104.05 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.54 -32.37 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.523 ' HA ' ' CG ' ' A' ' 19' ' ' PHE . 54.0 p -68.98 -1.2 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 -25.7 24.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 m-85 -80.32 150.37 70.7 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.653 0.739 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.83 21.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.609 2.206 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.639 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.5 p-90 -75.64 6.33 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.523 ' CG ' ' HA ' ' A' ' 14' ' ' THR . 25.4 t80 -78.63 130.23 35.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.71 -62.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 79.49 101.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' GLY . 16.6 t-20 34.29 52.99 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -84.91 151.5 24.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 25.4 mt-10 -88.18 119.79 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLU . 45.9 ttp180 -37.58 -58.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.463 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 18.4 tp60 -47.46 -41.28 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 16.3 mt-30 -72.17 -29.28 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.464 ' CG2' HD23 ' A' ' 41' ' ' LEU . 2.8 m -76.62 -38.22 55.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -83.57 -18.53 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 27.6 m-20 -80.84 -31.64 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 27' ' ' GLN . 3.9 pp -92.77 -39.04 11.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' HIS . 19.2 mt -64.8 -52.23 57.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -41.0 -38.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -80.93 -29.17 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.5 m-70 -61.33 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -89.94 24.91 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.01 1.49 2.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.8 m -73.4 117.46 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -120.18 167.14 12.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' ILE . 2.0 pp -170.62 164.27 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.49 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -132.96 110.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.206 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ALA . 27.7 ptt85 -102.95 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -121.93 174.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.23 144.85 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.401 ' CD1' HD22 ' A' ' 88' ' ' LEU . 13.7 mt -118.34 132.92 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -130.2 134.57 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.28 138.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -86.22 104.63 15.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 68.3 t80 -150.76 135.77 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.91 41.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 45.6 35.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 21.6 mt-10 -154.66 131.34 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.5 111.72 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 104' ' ' LEU . 6.2 mptt -89.46 129.89 35.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.07 113.87 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.74 148.59 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.18 151.07 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.86 102.2 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.85 136.9 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -130.72 104.52 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -144.38 148.77 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.507 ' HB2' ' CD1' ' A' ' 73' ' ' TRP . 20.2 m-20 55.14 25.93 7.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 71.9 26.35 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.507 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 9.5 m95 -117.27 164.22 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -142.34 115.54 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.9 -179.39 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 77' ' ' THR . 13.5 pt -137.83 139.76 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 10.9 t 44.67 25.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 51.28 46.16 26.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.01 -46.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -157.54 137.37 12.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 168.44 9.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 51.9 m-85 -147.39 169.99 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.93 -33.03 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -162.42 170.55 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 52' ' ' PHE . 31.2 tp -58.32 -25.65 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.426 HD21 ' CG2' ' A' ' 11' ' ' ILE . 57.2 tp -70.1 -47.58 61.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.24 -44.84 88.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.0 tt -58.46 -37.79 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.7 t -72.35 -49.76 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.88 -28.45 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 46.8 t80 -67.14 -51.45 53.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CD2' HD23 ' A' ' 88' ' ' LEU . 27.0 m-85 -74.07 -23.22 59.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -52.02 -23.67 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -123.01 -31.48 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -98.28 127.43 44.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.447 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 33.8 t -51.01 141.22 14.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.53 -6.82 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -47.29 -34.63 6.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -43.21 -53.89 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.511 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.3 t -78.45 -49.48 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.511 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 26.2 m-85 -123.77 97.14 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.99 -34.49 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -64.23 -31.66 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 2.1 tp -97.45 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -122.7 94.91 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.416 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 6.6 t -168.77 152.32 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.447 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 40.3 p -123.88 130.78 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 mt -34.41 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -97.67 -74.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -115.44 148.91 41.93 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.611 0.719 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.66 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -175.42 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 36.1 t0 -89.42 105.51 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.32 -20.95 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 19' ' ' PHE . 18.7 p -77.11 1.45 18.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.82 -19.94 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.668 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 80.7 m-85 -84.21 149.15 54.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -29.44 24.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.668 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.8 p-90 -78.02 9.08 3.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER -100.29 128.07 46.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.88 -34.9 6.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 -136.42 13.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -74.16 68.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 1.9 tpp -91.69 151.81 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 23' ' ' MET . 36.8 mt-10 -89.51 146.0 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.18 -20.88 57.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.45 -52.19 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.17 -24.83 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 HG21 ' CB ' ' A' ' 55' ' ' SER . 2.9 m -82.2 -38.19 24.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -80.75 -11.73 59.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -94.66 -30.48 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD2' ' HE2' ' A' ' 23' ' ' MET . 0.7 OUTLIER -89.99 -38.76 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.5 mt -64.15 -50.61 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.81 -24.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . 32.2 t -84.55 -37.19 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' HG23 ' A' ' 39' ' ' THR . 13.2 m-70 -61.67 -176.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -176.36 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 m -84.93 31.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.53 6.12 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' CD2' ' A' ' 35' ' ' HIS . 18.4 m -84.06 133.21 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -133.48 169.09 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -171.01 159.06 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.497 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -123.73 109.8 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -106.46 170.11 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 9.1 ptt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 51' ' ' ARG . 14.5 m-85 -158.88 138.23 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.07 152.34 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.4 mt -119.89 132.97 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.413 ' CB ' HG21 ' A' ' 28' ' ' THR . 1.2 t -119.39 124.03 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 1.9 mp -137.1 137.31 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -84.08 125.63 32.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 58.4 t80 -156.89 145.5 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.517 ' OD1' ' CE2' ' A' ' 58' ' ' PHE . 5.3 m120 45.93 54.61 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 43.57 30.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -142.22 143.59 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.6 t -102.9 106.3 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 104' ' ' LEU . 4.3 mptp? -83.24 158.32 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -132.46 110.77 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.73 156.6 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.436 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -115.49 152.85 32.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.442 ' CG1' ' CG2' ' A' ' 74' ' ' ILE . 3.5 t -128.83 90.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.77 162.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.38 103.56 7.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -129.65 149.75 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.568 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.9 m-20 49.03 44.83 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.1 t-20 54.61 29.04 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.7 m95 -130.32 174.75 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 85' ' ' LEU . 4.0 mt -136.55 124.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 1.8 p-80 -139.23 171.05 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 77' ' ' THR . 5.0 pt -131.6 131.71 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 11.7 t 45.07 38.79 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' CD2' ' A' ' 75' ' ' HIS . 48.9 mt-10 46.16 35.91 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.25 -72.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -125.92 131.42 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -95.53 162.67 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ILE . 37.7 m-85 -152.53 170.49 20.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -35.9 64.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.418 ' C ' HD11 ' A' ' 74' ' ' ILE . 3.6 m -156.4 -179.43 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.461 ' N ' HD11 ' A' ' 74' ' ' ILE . 12.7 tp -71.02 -43.06 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.23 -46.23 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -52.74 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.2 tt -48.83 -31.9 7.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 65.1 t -78.08 -46.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.72 -25.25 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 6.4 t80 -73.61 -48.65 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -76.21 -18.32 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.32 -24.94 63.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.37 -24.06 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.9 m170 -103.92 132.11 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -56.78 148.32 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.2 6.67 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.82 -32.06 73.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -44.24 -39.13 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -101.94 -42.2 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -120.68 86.36 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -41.86 -51.3 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -50.95 -34.37 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 3.2 tp -97.01 111.96 23.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.66 82.39 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.552 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.2 t -151.41 161.06 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 95' ' ' HIS . 72.9 p -128.66 140.71 51.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.519 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 13.4 mt -52.01 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -94.16 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -117.43 150.28 46.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -102.89 -175.02 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 13' ' ' TYR . 78.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.71 90.87 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 11' ' ' ILE . 10.3 m-85 -69.08 -30.4 68.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.56 HG21 ' CE2' ' A' ' 19' ' ' PHE . 14.2 p -69.53 -1.13 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.78 -24.0 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 73.5 m-85 -81.09 148.63 64.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.7 0.762 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.13 25.82 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.67 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.7 p-90 -79.23 11.16 3.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' HG21 ' A' ' 14' ' ' THR . 2.9 t80 -97.75 130.19 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.54 -37.98 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.0 -137.82 21.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -71.37 68.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 6.3 ttm -99.94 157.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' MET . 34.8 mt-10 -101.16 144.41 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLN . 37.5 mtm180 -51.58 -56.3 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . 43.9 tt0 -37.93 -60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -59.53 -38.75 81.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -57.74 -47.51 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -77.57 -27.5 51.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.49 -31.03 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.08 -31.7 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' HIS . 25.5 mt -75.7 -51.06 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -38.21 -42.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -71.3 -37.03 71.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.7 m-70 -61.56 -179.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.4 -175.24 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.4 p -83.94 18.43 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.17 -1.6 6.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.431 HG23 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -76.16 126.14 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 15.5 p90 -126.61 166.15 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -165.62 158.78 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.8 mp -122.23 109.93 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -106.89 172.01 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -149.48 146.34 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.62 140.32 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -113.82 122.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 64' ' ' HIS . 28.4 t -118.61 126.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.81 143.08 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -80.55 111.29 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 58.0 t80 -151.99 140.01 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 72.78 34.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 56.71 25.81 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -151.24 149.6 29.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.21 117.78 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 3.8 mmmt -107.92 153.99 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 56.8 m-70 -132.09 150.31 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.9 110.88 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 146.04 54.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.4 t -118.62 138.0 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 69' ' ' GLU . 95.8 t -105.2 140.21 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 68' ' ' VAL . 2.5 tt0 -130.58 102.59 6.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -145.06 150.09 36.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 57.06 29.47 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.3 t30 65.53 32.19 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.92 153.81 47.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mt -125.88 124.54 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 3.0 p-80 -154.51 179.03 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 78' ' ' GLU . 6.8 pt -138.8 152.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . 6.8 t 30.66 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' ILE . 6.5 tt0 37.65 49.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.2 -49.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 135.08 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -95.79 161.86 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 39.1 m-85 -148.63 158.03 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -53.29 -31.46 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -171.26 -177.57 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.98 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CB ' HD13 ' A' ' 11' ' ' ILE . 58.6 tp -64.71 -49.39 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.11 -42.44 99.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -57.75 -39.95 78.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 t -72.5 -47.17 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.65 -23.18 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 16.0 t80 -75.61 -50.04 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 97' ' ' LEU . 22.5 m-85 -74.72 -21.81 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -54.97 -24.79 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 59.5 m -123.43 -28.17 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.485 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.3 m170 -100.68 134.91 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -59.11 155.67 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 92' ' ' TYR . 8.4 mt -91.07 6.95 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -60.29 -41.36 93.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.49 -44.05 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 m -81.18 -47.46 13.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -126.15 104.85 8.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.16 -21.44 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.94 -20.16 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 2.0 tp -111.89 105.82 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 4.7 m-20 -121.0 94.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -165.37 169.45 15.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 95' ' ' HIS . 25.6 p -134.1 131.94 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.496 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 7.6 mt -44.41 104.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 29.2 mttt -94.35 -74.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 5.2 m-85 -113.47 147.45 37.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -171.31 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.5 92.94 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.18 -25.52 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 19' ' ' PHE . 21.1 p -73.03 0.99 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.64 -28.72 19.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 67.3 m-85 -76.83 149.12 80.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.64 27.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.65 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.7 p-90 -82.05 14.07 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 14' ' ' THR . 11.6 t80 -89.41 127.32 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.58 -47.85 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 -149.18 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.78 54.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.408 ' CE ' HG23 ' A' ' 28' ' ' THR . 6.6 ttp -78.8 158.81 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -79.63 131.72 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -50.83 -50.62 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.12 -49.91 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -58.92 -46.19 88.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.408 HG23 ' CE ' ' A' ' 23' ' ' MET . 1.5 m -61.95 -48.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . 36.1 t0 -63.37 -27.89 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -81.74 -65.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.91 -38.57 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 62' ' ' VAL . 8.7 mt -58.36 -33.89 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 37.4 mtpt -61.22 -44.83 96.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -66.75 -2.96 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.29 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.04 -178.33 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.8 p -85.69 15.43 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.62 -2.12 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -73.72 125.93 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -127.1 169.06 13.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' ILE . 2.5 pp -169.21 164.41 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.4 mp -127.26 115.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.35 168.11 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -124.22 160.16 28.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.15 160.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 mt -119.04 144.45 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.3 m -137.81 117.68 13.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mp -131.93 145.32 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 41.9 tptt -89.0 106.96 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 23.5 t80 -150.87 140.63 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 33.9 t30 66.53 33.58 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 53.5 27.79 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -145.82 132.22 19.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 29' ' ' ASP . 76.1 t -81.8 109.57 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 27.2 mmtt -92.91 149.31 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.13 156.21 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 128.48 54.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.48 102.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 127.93 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.2 103.87 9.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -145.31 149.24 34.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.1 37.22 28.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.408 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 9.7 t-20 59.63 34.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.8 m95 -128.35 160.39 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 mt -138.07 125.41 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -167.72 -175.09 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.0 pt -137.64 154.77 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' ILE . 7.0 t 31.86 36.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ILE . 21.8 mt-10 34.33 49.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -33.42 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -163.57 127.08 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -83.42 141.79 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 28.5 m-85 -128.86 156.44 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.96 -29.88 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -166.09 -178.83 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.43 -29.01 67.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.5 -48.43 79.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -62.03 -37.0 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.51 -46.0 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.81 -23.42 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 11.2 t80 -72.43 -49.9 30.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CG ' HD23 ' A' ' 97' ' ' LEU . 20.4 m-85 -75.89 -19.65 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -57.78 -23.2 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 41.4 t -124.06 -26.87 3.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.445 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.1 m170 -103.19 131.19 50.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.446 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 13.1 t -54.11 148.03 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.429 HD23 ' CG ' ' A' ' 92' ' ' TYR . 13.6 mt -78.13 -7.04 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.2 pttp -45.24 -44.62 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 7.2 mm-40 -38.0 -50.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 m -76.27 -56.37 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -118.16 107.59 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -56.42 -18.84 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -86.75 -17.99 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp -108.05 106.15 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -119.29 94.39 4.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 t -168.57 158.83 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 21.4 p -128.06 130.74 48.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 13.7 mt -39.65 102.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -92.41 -74.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -115.19 151.7 46.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.642 0.734 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.292 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.9 p90 -105.4 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' TYR . 1.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.866 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.78 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -74.48 -28.37 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.56 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 44.8 p -75.34 4.12 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 -25.09 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.9 m-85 -82.04 150.48 65.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.749 0.785 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -29.4 24.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.666 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.2 p-90 -78.58 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 20.0 t80 -82.56 130.41 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.58 -52.13 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.601 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 74.31 92.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.522 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 47.09 49.16 15.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -80.09 152.05 29.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 23' ' ' MET . 1.3 pt-20 -97.07 119.29 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' GLU . 27.7 ttm180 -34.2 -44.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -53.92 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -55.46 -35.05 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.414 ' CG2' HD22 ' A' ' 41' ' ' LEU . 4.2 m -64.76 -49.75 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.48 -16.51 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.97 -28.61 17.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 0.6 OUTLIER -92.46 -40.42 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 20.4 mt -66.07 -49.53 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.54 -36.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -78.32 -41.57 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.04 177.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.42 -174.94 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.3 m -88.7 26.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.08 1.26 2.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.0 m -80.51 113.98 19.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.177 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 28.9 p90 -113.48 158.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 42' ' ' ILE . 1.3 pp -155.14 163.47 40.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 mp -133.71 115.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.505 ' NH2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -101.45 169.68 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -109.78 158.97 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.91 156.51 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 55' ' ' SER . 14.0 mt -122.65 144.42 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.468 ' N ' HG23 ' A' ' 54' ' ' ILE . 1.5 m -137.88 117.68 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.83 169.17 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -115.91 112.71 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -142.85 150.34 39.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 54.5 35.32 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 59.61 31.08 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -142.67 158.41 43.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 t -107.99 106.81 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.78 149.7 22.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 72.9 m-70 -123.94 127.94 48.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.8 mt -113.64 107.95 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -72.01 141.74 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.24 131.88 53.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -108.06 134.22 50.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -116.03 106.01 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -140.18 146.82 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 75.2 m-20 56.97 38.93 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 79.5 m-20 56.72 39.06 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 39.7 m95 -143.52 162.04 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 85' ' ' LEU . 5.2 mt -123.14 127.41 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.36 169.0 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 77' ' ' THR . 33.8 pt -129.15 133.44 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 13.5 t 46.45 24.92 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 61.9 40.56 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.76 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 81' ' ' LYS . 7.9 tptp -143.03 144.93 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -103.74 142.85 33.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -133.56 159.21 41.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.75 -18.11 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' HD11 ' A' ' 74' ' ' ILE . 3.4 m -173.92 -179.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 74' ' ' ILE . 18.2 tp -63.71 -52.91 58.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -41.53 -50.99 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.99 -45.84 68.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 54' ' ' ILE . 8.9 tt -58.32 -41.48 84.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.46 -57.13 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -51.51 -33.22 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.483 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 36.1 t80 -65.81 -47.93 73.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -76.83 -21.29 55.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -56.51 -20.19 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.34 -30.06 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -101.25 133.04 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.42 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 31.7 t -58.54 153.31 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.74 8.96 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.5 pttp -58.82 -40.93 85.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.0 mm-40 -49.03 -47.8 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 m -71.27 -45.47 63.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.4 117.8 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -11.03 11.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.38 -10.32 23.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -114.68 100.82 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.92 92.26 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.5 t -163.11 166.83 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 95' ' ' HIS . 43.6 p -138.14 130.91 29.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -41.54 105.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -95.25 -66.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.93 151.53 55.03 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.631 2.22 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 19' ' ' PHE . 1.6 p90 -99.66 -174.32 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.01 111.82 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -82.2 -30.94 30.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 44.5 p -72.28 2.37 6.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 -20.85 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.686 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.1 m-85 -84.77 149.31 53.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.69 25.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.686 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.1 p-90 -81.06 15.6 1.81 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 14' ' ' THR . 10.6 t80 -92.62 117.49 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.83 -66.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 98.62 73.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.3 p30 36.71 45.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 ptm -69.77 -176.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -87.9 141.59 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.29 -53.9 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 27' ' ' GLN . 10.3 pt20 -56.26 -41.12 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 12.8 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.456 ' CG2' HD22 ' A' ' 41' ' ' LEU . 2.7 m -63.05 -51.26 67.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.35 -14.02 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 51.4 m-20 -86.72 -32.21 20.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 pp -93.13 -33.49 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.74 -49.76 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -41.09 -41.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -73.45 -39.95 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' HG22 ' A' ' 39' ' ' THR . 17.6 m-70 -51.01 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.98 -177.01 6.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.0 p -86.74 34.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.52 13.73 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 35' ' ' HIS . 16.7 m -84.52 124.53 31.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.528 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -121.26 155.84 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 42' ' ' ILE . 2.3 pp -154.63 160.9 41.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 mp -133.93 109.89 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -114.12 174.07 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 8.2 mmm-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 9.4 m-85 -165.34 130.16 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.94 131.59 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.438 HD11 ' CD2' ' A' ' 88' ' ' LEU . 7.3 mt -101.22 123.24 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -116.2 124.56 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -129.94 136.47 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -84.05 110.44 18.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -151.04 130.0 12.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 73.53 44.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 48.18 31.15 2.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.57 133.08 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.96 101.6 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -83.93 131.31 34.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -110.68 114.83 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.5 156.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -104.79 160.46 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -134.98 96.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 75' ' ' HIS . 7.6 p -80.87 157.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.55 102.93 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -138.06 149.95 46.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.25 24.99 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 70.24 31.53 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -128.79 173.28 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mt -138.83 114.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.552 ' CE1' HG11 ' A' ' 68' ' ' VAL . 3.3 p-80 -138.13 176.68 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' GLU . 33.3 pt -137.13 146.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' THR . 1.3 t 32.01 35.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.6 mt-10 44.0 50.98 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.15 -36.17 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.61 132.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HZ3' ' CE1' ' A' ' 75' ' ' HIS . 11.5 mmtt -91.08 137.28 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.1 m-85 -128.23 141.19 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 14.9 t0 -36.77 -37.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 m -165.49 -176.95 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.89 -54.87 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.2 tp -39.8 -53.4 2.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -56.38 -51.5 68.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -52.05 -46.08 64.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 108' ' ' LEU . 93.6 t -63.08 -51.21 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.443 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.5 t80 -57.83 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CE1' HD21 ' A' ' 97' ' ' LEU . 25.9 m-85 -71.56 -32.05 67.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -44.84 -25.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.3 m -119.07 -33.21 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -97.37 129.07 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -52.91 151.24 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 92' ' ' TYR . 4.4 mt -86.69 20.27 2.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -71.09 -37.23 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -51.04 -41.05 59.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -85.0 -53.26 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -119.98 113.69 20.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -61.33 -38.89 88.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.03 -20.96 65.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tp -109.67 115.22 29.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -130.64 95.54 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -172.54 174.07 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' LEU . 55.2 p -134.0 132.42 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.528 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 6.4 mt -34.84 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -90.56 -73.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.85 149.09 41.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -95.55 170.05 9.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.875 0.369 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 37.6 t0 -98.72 105.81 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.36 -23.9 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.571 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.9 p -76.99 5.38 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.32 -23.16 16.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 68.8 m-85 -77.72 149.82 78.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -24.68 29.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.266 . . . . 0.0 112.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.9 p-90 -84.6 14.77 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 t80 -94.4 129.13 41.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 95.91 97.39 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 21' ' ' GLY . 1.6 p30 33.22 54.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 ttp -75.06 156.02 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 133.33 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -42.79 -67.71 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -49.51 -47.53 48.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 6.6 tt0 -56.1 -20.73 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.405 ' CG2' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.61 -44.88 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -77.02 -14.14 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -94.23 -34.83 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.51 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 0.5 OUTLIER -84.44 -24.97 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.31 -30.94 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.92 -33.23 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -75.81 -23.89 55.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -80.69 177.34 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -179.5 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -82.59 16.54 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.54 5.2 6.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -82.64 125.17 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 19.7 p90 -121.37 166.26 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' ILE . 1.1 pp -163.26 157.17 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.2 mp -124.84 119.92 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' CG ' HD13 ' A' ' 41' ' ' LEU . 7.8 mtp180 -96.16 170.75 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG3' ' CE1' ' A' ' 52' ' ' PHE . 22.4 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 58.0 m-85 -122.99 161.05 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.5 149.44 32.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' HD21 ' A' ' 88' ' ' LEU . 29.1 mt -122.83 120.51 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -118.02 126.45 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.71 147.56 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -87.94 120.08 28.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 90.0 t80 -156.87 140.92 16.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 63.96 36.69 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 52.94 28.21 6.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -147.29 133.03 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.9 t -73.78 117.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -102.22 144.6 30.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.4 131.78 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.2 mt -121.29 98.01 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -64.22 148.01 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.6 146.3 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.68 155.71 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.33 102.36 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -133.32 149.81 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 53.6 35.65 21.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 33.1 m120 60.13 35.21 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.7 m95 -134.4 173.96 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.92 129.56 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -152.25 -177.72 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.4 pt -143.69 143.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t 38.56 27.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' ILE . 48.1 mt-10 48.61 45.52 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.95 -44.35 6.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 1.3 tppp? -153.26 139.0 17.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -99.86 126.39 45.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 34.7 m-85 -120.35 147.98 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.31 -29.22 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -170.07 179.81 3.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 86' ' ' LEU . 4.9 tt -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.414 ' N ' HD21 ' A' ' 85' ' ' LEU . 57.0 tp -48.7 -51.33 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.57 -38.7 92.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.1 tt -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.28 -48.16 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.585 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 52.3 t80 -69.18 -48.92 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 97' ' ' LEU . 25.4 m-85 -75.94 -21.09 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -56.41 -22.06 29.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.2 m -125.07 -28.75 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -101.24 130.43 47.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 6.7 t -55.14 149.41 12.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 92' ' ' TYR . 9.5 mt -79.88 12.09 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -68.89 -32.11 71.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -48.82 -46.69 42.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -84.78 -47.36 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -125.32 96.93 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -45.2 -51.47 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -54.02 -30.74 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.55 107.86 20.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 9.7 t70 -123.39 101.72 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.1 t -171.79 161.61 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 71.0 p -133.03 133.11 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 7.0 mt -45.07 107.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -100.08 -71.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -112.81 147.8 37.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.717 0.77 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -172.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.77 -174.91 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -75.24 91.49 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -76.02 -35.89 59.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.524 ' HA ' ' CG ' ' A' ' 19' ' ' PHE . 65.6 p -61.32 -8.9 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -26.98 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.506 ' CB ' ' CE2' ' A' ' 18' ' ' TRP . 61.0 m-85 -77.07 147.3 76.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.715 0.769 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -31.93 19.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.506 ' CE2' ' CB ' ' A' ' 16' ' ' TYR . 12.1 p-90 -72.14 1.77 6.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 14' ' ' THR . 9.8 t80 -84.09 134.91 34.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.22 -49.81 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.07 -144.35 18.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 22.4 t30 -94.48 54.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ptm -74.18 -175.39 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -108.12 140.05 41.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -44.26 -52.64 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -52.0 -50.39 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.7 -44.6 63.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.0 m -58.77 -50.76 72.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 62' ' ' VAL . 8.0 t0 -68.26 -29.53 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 54.2 m-20 -72.47 -36.62 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -89.19 -27.84 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' SER . 22.1 mt -79.7 -47.99 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 19.6 ptmt -35.74 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 38.9 t -88.8 -41.62 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.497 ' CG ' HG22 ' A' ' 39' ' ' THR . 19.9 m-70 -46.14 171.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.95 -174.79 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -87.18 30.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 9.09 1.07 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.497 HG22 ' CG ' ' A' ' 35' ' ' HIS . 52.9 m -82.86 126.11 32.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 17.8 p90 -126.29 164.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 42' ' ' ILE . 1.1 pp -169.58 159.06 8.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -123.86 123.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.08 174.09 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 1.9 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -104.82 143.76 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.74 162.68 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 88' ' ' LEU . 48.9 mt -131.51 130.47 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -121.38 129.56 53.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -140.59 130.02 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -80.0 112.28 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE2' ' CG ' ' A' ' 59' ' ' ASN . 85.3 t80 -145.3 155.37 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' CG ' ' CE2' ' A' ' 58' ' ' PHE . 23.2 m-20 52.22 38.35 24.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t0 56.62 26.6 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.34 125.77 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -71.24 115.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 49.7 mmtt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -113.78 128.31 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.1 mt -116.43 153.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -119.8 137.62 53.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 68' ' ' VAL . 40.2 t -100.49 151.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.407 ' N ' HG12 ' A' ' 67' ' ' VAL . 70.8 t -133.04 130.46 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 102.86 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -134.69 150.11 50.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.5 t70 53.34 41.24 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.62 25.28 11.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.7 m95 -128.8 166.77 18.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.98 130.47 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -158.08 177.39 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -131.0 137.67 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t 42.86 25.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 54.25 45.85 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.09 -48.94 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 5.6 tmtm? -148.98 122.5 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -78.86 121.05 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HD2' ' A' ' 80' ' ' LYS . 48.8 m-85 -116.85 170.79 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -31.09 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -152.66 175.15 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.7 -24.67 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.83 -46.24 79.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.25 -40.46 96.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 6.7 tt -60.31 -35.84 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -75.91 -49.12 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.23 -34.05 75.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.4 t80 -56.67 -55.79 29.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.89 -34.02 72.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -42.28 -25.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 m -118.61 -31.43 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -100.68 127.64 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.455 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.1 t -51.75 146.46 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mt -79.9 12.18 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -66.42 -36.44 82.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.22 -47.41 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 p -78.46 -43.87 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -129.22 104.5 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.02 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.89 -19.67 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 7.5 tp -109.26 106.0 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -119.03 91.28 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -172.29 157.71 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 41.6 p -123.67 131.79 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.534 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mt -34.56 103.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -93.05 -74.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -112.71 147.26 36.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.753 0.787 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.404 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -92.55 -174.93 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.814 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.5 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.22 105.79 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -84.45 -27.05 27.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 74.7 p -70.73 -3.81 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.48 -30.81 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 61.2 m-85 -73.39 145.47 85.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.708 0.766 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -28.24 25.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.3 p-90 -77.89 5.16 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 14' ' ' THR . 1.1 t80 -94.76 128.0 41.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.92 -61.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 112.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.1 t30 40.25 53.24 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -89.35 155.9 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.52 147.03 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -28.13 67.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -80.76 -46.19 15.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -57.23 -37.78 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -63.91 -50.62 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -73.83 -13.0 60.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -86.71 -33.58 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -92.64 -38.19 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -65.35 -49.05 70.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -37.47 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -79.63 -32.5 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.3 m-70 -62.23 -177.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.26 -174.91 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 m -87.37 22.65 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -3.97 3.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.405 HG22 ' CD2' ' A' ' 32' ' ' LEU . 34.1 m -71.81 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 14.0 p90 -128.61 167.42 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 42' ' ' ILE . 2.8 pp -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.7 mp -132.71 117.05 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG2' ' CD1' ' A' ' 41' ' ' LEU . 9.5 mtm-85 -103.07 164.83 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CZ ' HD21 ' A' ' 85' ' ' LEU . 6.0 m-85 -157.4 153.26 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -150.07 156.27 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.68 112.51 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -114.86 118.48 33.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -128.77 135.04 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -80.28 118.79 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -158.96 133.75 8.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 73.06 28.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.56 32.73 21.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -151.57 123.38 8.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.92 108.62 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 29.3 mmtt -91.48 144.47 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.32 115.82 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -109.72 107.15 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -75.51 135.11 40.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.59 137.26 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 69' ' ' GLU . 97.6 t -104.04 135.75 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 74' ' ' ILE . 8.2 mt-10 -124.87 102.4 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -139.2 150.04 45.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 52.91 44.36 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 52.97 38.52 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -131.38 174.27 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.7 mt -146.28 125.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -165.21 -175.02 3.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' GLU . 41.3 pt -137.62 153.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . 1.8 t 29.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 76' ' ' ILE . 3.1 mp0 36.48 50.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.4 -39.47 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -158.98 122.66 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -82.06 121.96 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 80' ' ' LYS . 44.0 m-85 -114.09 169.61 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -36.92 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -151.88 178.54 9.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD21 ' CZ ' ' A' ' 52' ' ' PHE . 23.8 tp -69.7 -27.14 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.49 -51.45 67.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.08 -40.03 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.51 -34.1 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.14 -50.54 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.146 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.78 -21.63 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.451 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 67.1 t80 -74.59 -49.76 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -74.3 -27.8 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.89 -24.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.96 -33.7 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -98.0 127.34 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 5.3 t -53.15 158.25 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -84.58 -5.82 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 31.5 pttt -47.15 -43.64 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 41.5 mt-10 -45.4 -48.06 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.7 m -81.82 -42.94 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -133.37 96.2 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -50.35 6.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.09 -33.4 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 4.1 tp -98.39 111.16 23.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.33 92.33 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -166.52 165.25 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 49.9 p -132.61 130.67 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 9.7 mt -33.93 102.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -91.16 -74.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -116.95 148.34 41.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -169.66 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -102.03 -175.0 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.497 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 57.3 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -83.92 88.53 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 13.1 m-85 -71.65 -27.88 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 52.4 p -69.0 -2.54 10.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.29 -26.39 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 72.5 m-85 -81.33 147.48 60.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.95 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.3 p-90 -74.46 4.32 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 14' ' ' THR . 2.0 t80 -95.3 129.53 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.53 -54.29 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.62 115.13 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 24.8 t30 39.73 48.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.951 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.479 ' CG ' ' N ' ' A' ' 24' ' ' GLU . 5.4 ttm -80.89 162.47 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 23' ' ' MET . 28.0 mt-10 -91.56 124.87 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -47.54 -59.12 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -47.42 -53.46 13.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -56.13 -34.04 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -64.98 -46.99 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -79.88 -15.26 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -91.98 -29.2 16.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' CD2' ' HE3' ' A' ' 23' ' ' MET . 1.8 pp -92.12 -31.02 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 35' ' ' HIS . 53.3 mt -77.38 -49.48 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -40.39 -38.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -78.03 -33.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' LEU . 15.2 m-70 -59.2 -176.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.14 -174.74 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -88.16 28.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.4 8.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.0 m -84.85 118.63 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CG ' HD21 ' A' ' 108' ' ' LEU . 13.8 p90 -119.81 166.68 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -168.2 161.0 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.9 mp -129.48 122.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.75 165.62 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -158.14 146.16 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.64 145.23 24.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -110.07 127.22 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -119.52 118.41 30.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -133.96 136.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.119 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -83.29 125.27 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -161.69 145.63 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.3 t30 52.75 46.96 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 48.74 25.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -143.11 140.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.05 106.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' CE ' ' CD1' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -85.13 130.39 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -105.28 108.67 20.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.464 HG12 ' CE1' ' A' ' 101' ' ' PHE . 83.4 mt -89.29 152.66 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -116.57 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.95 155.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 m -139.6 156.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -131.4 108.3 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -138.43 150.07 46.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 52.36 32.58 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 64.87 31.74 11.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.477 ' CZ3' ' N ' ' A' ' 83' ' ' ASP . 38.8 m95 -129.96 174.61 9.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -139.5 128.21 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.03 -175.62 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' CG2' ' A' ' 77' ' ' THR . 19.4 pt -141.87 137.5 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 9.2 t 48.42 25.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 58.69 43.96 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.47 -75.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 5.8 tptp -134.76 138.39 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 112.37 24.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 41.5 m-85 -108.26 137.29 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.477 ' N ' ' CZ3' ' A' ' 73' ' ' TRP . 11.4 t70 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 82' ' ' PHE . 3.8 m -164.91 -175.82 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' LEU . 56.8 tp -61.49 -55.94 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' LEU . 66.4 tp -37.14 -51.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.06 -50.66 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -52.68 -36.47 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -51.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.22 -27.98 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 85.2 t80 -65.72 -53.43 41.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 97' ' ' LEU . 42.8 m-85 -71.08 -26.44 63.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -48.01 -26.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.0 m -119.44 -30.36 4.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.38 131.46 45.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.448 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.0 OUTLIER -50.39 160.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 92' ' ' TYR . 9.0 mt -101.59 17.36 23.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 5.8 ptpt -65.68 -44.66 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 8.8 mp0 -38.56 -52.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.51 ' OG ' ' CE1' ' A' ' 101' ' ' PHE . 9.8 t -74.49 -56.42 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' OG ' ' A' ' 100' ' ' SER . 46.7 m-85 -117.12 106.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -60.37 -14.96 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -95.83 0.81 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' CE ' ' A' ' 63' ' ' LYS . 5.8 tp -127.84 79.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -97.25 86.21 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -161.25 171.58 18.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 40.3 p -133.5 134.65 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 40' ' ' TYR . 17.2 mt -38.98 112.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -104.55 -74.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.75 148.36 39.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.653 0.739 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -87.21 -174.59 4.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.455 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 5.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 12' ' ' ASP . 40.7 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.903 0.382 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 11' ' ' ILE . 51.4 t0 -87.99 104.38 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -88.27 -33.89 17.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.2 p -60.83 -13.45 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.52 56.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.652 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 63.3 m-85 -74.86 148.13 84.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -29.11 24.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.652 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.6 p-90 -78.08 10.16 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 14' ' ' THR . 14.9 t80 -84.23 131.81 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 41' ' ' LEU . . . -119.93 -39.45 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 74.07 -143.89 32.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -63.54 76.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.492 ' SD ' ' NE2' ' A' ' 27' ' ' GLN . 2.3 tpp -100.83 150.7 22.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 27' ' ' GLN . 9.5 pt-20 -96.43 128.71 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.61 ' N ' HH22 ' A' ' 43' ' ' ARG . 4.5 tmm_? -40.85 -46.35 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 27' ' ' GLN . 8.7 pt20 -52.84 -54.0 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' NE2' ' SD ' ' A' ' 23' ' ' MET . 8.6 tt0 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.428 ' CG2' HD21 ' A' ' 41' ' ' LEU . 4.2 m -60.03 -50.2 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.78 -35.42 67.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.8 -32.17 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.15 -36.45 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 28' ' ' THR . 35.3 mt -71.48 -47.03 58.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 34' ' ' SER . 15.6 ptmt -41.41 -46.45 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 1.3 t -67.89 -40.32 83.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.67 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.45 -175.16 3.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.5 m -84.04 24.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.33 -7.68 2.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -73.49 128.38 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 12.4 p90 -134.39 163.06 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -160.21 166.49 29.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.561 HD11 ' CE3' ' A' ' 18' ' ' TRP . 2.3 mp -126.18 109.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.61 HH22 ' N ' ' A' ' 25' ' ' ARG . 5.8 ptm180 -99.65 166.73 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 52' ' ' PHE . 9.3 ttm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 29.1 m-85 -133.76 158.36 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.03 159.06 44.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 ' CD1' HD21 ' A' ' 88' ' ' LEU . 25.3 mt -134.83 124.07 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -117.61 127.32 53.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp -137.18 138.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -82.66 128.65 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD1' HD13 ' A' ' 104' ' ' LEU . 47.2 t80 -173.33 145.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 60.58 45.83 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 44.92 28.43 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -151.13 133.64 15.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.29 114.72 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 31.1 mmtm -88.82 150.7 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -137.47 117.16 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.29 149.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -103.88 103.57 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -78.07 95.04 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.74 153.66 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -133.14 104.8 6.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.2 149.98 50.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.8 m-20 52.98 38.63 27.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.602 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 3.8 t30 58.95 29.7 19.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 14.5 m95 -129.26 167.26 17.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 mt -132.63 127.6 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.4 170.7 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' GLU . 37.4 pt -138.69 147.0 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 t 39.61 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' ILE . 31.9 mt-10 46.22 48.94 12.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.51 -47.47 5.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -161.02 136.85 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -89.57 134.14 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.5 m-85 -123.47 140.71 52.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 24.2 t70 -36.34 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.2 m -174.73 -176.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.12 -44.27 92.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.9 tp -50.25 -56.66 10.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.65 -51.96 61.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.7 tt -49.52 -42.57 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.449 HG11 ' CD1' ' A' ' 108' ' ' LEU . 57.9 t -69.34 -50.79 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.83 -26.76 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 77.6 t80 -66.59 -54.95 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.3 m-85 -70.93 -24.89 62.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.19 -24.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -123.02 -31.0 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.2 128.71 44.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -50.17 153.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.3 mt -91.88 20.05 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 38.3 pttt -71.13 -44.45 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -36.81 -53.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -76.43 -53.39 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -116.73 99.19 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -52.36 -26.55 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 5.3 pt20 -79.74 -23.01 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 58' ' ' PHE . 8.9 tp -104.22 103.39 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.45 94.94 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 t -171.53 169.29 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' LEU . 36.8 p -132.62 130.88 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 8.2 mt -34.36 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -88.9 -75.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.81 152.85 49.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.697 0.761 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.9 -175.01 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -96.04 102.57 14.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -80.95 -28.52 35.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CE1' ' A' ' 19' ' ' PHE . 47.2 p -70.23 -8.75 52.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.24 -25.67 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.678 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 62.2 m-85 -73.78 146.8 85.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.74 . . . . 0.0 111.015 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.678 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 16.7 p-90 -79.79 13.33 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 14' ' ' THR . 11.3 t80 -96.49 128.65 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . . . -89.87 -62.16 1.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 93.56 108.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.3 m-80 34.09 42.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -80.06 150.25 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 23' ' ' MET . 51.2 mm-40 -86.64 142.42 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -54.89 -48.25 73.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -54.19 -60.57 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -47.73 -49.34 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.3 m -50.39 -53.59 28.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.81 -22.06 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -75.79 -37.36 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 2.1 pp -91.3 -30.88 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.72 -48.26 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -39.6 -41.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 m -75.67 -39.98 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 39' ' ' THR . 6.4 m-70 -48.62 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -175.99 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 m -88.15 36.45 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.23 14.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.564 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.8 m -85.41 115.49 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.3 p90 -116.14 162.92 16.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -171.4 170.93 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 3.3 mp -137.35 125.35 32.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' NH2' ' ND1' ' A' ' 64' ' ' HIS . 5.6 ptt-85 -134.77 172.21 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -110.93 149.8 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.98 123.37 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.93 123.26 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -117.66 125.46 50.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 57' ' ' LYS . 4.1 mp -130.81 143.3 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.456 ' N ' HG21 ' A' ' 56' ' ' ILE . 12.9 tptm -98.62 101.58 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' CD2' ' HB ' ' A' ' 106' ' ' THR . 8.1 t80 -140.21 133.44 29.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 9.9 t30 74.27 31.03 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t0 60.25 31.33 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -150.18 128.25 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -80.26 112.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HG2' ' CD1' ' A' ' 104' ' ' LEU . 2.1 mptp? -95.77 129.62 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 96.7 m-70 -107.82 110.06 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.26 103.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.497 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -59.26 147.09 36.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.36 126.96 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.3 t -96.49 132.22 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.41 102.24 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.427 ' HD3' ' CG ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -141.43 141.89 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' CG ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 m-20 57.62 39.99 27.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.7 m-20 57.17 32.91 22.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.541 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.4 m95 -128.52 150.61 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.4 mt -127.24 129.77 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -166.87 -175.06 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' GLU . 39.4 pt -140.08 157.01 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 77' ' ' THR . 1.4 t 30.86 36.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 76' ' ' ILE . 44.0 mt-10 37.02 52.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.49 -34.92 11.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -174.33 124.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 133.54 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -122.89 145.91 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -41.26 -37.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -175.51 -175.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.44 -44.33 72.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.1 tp -51.17 -55.27 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.29 -50.74 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.8 tt -57.17 -39.83 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 108' ' ' LEU . 90.7 t -65.62 -51.09 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.68 -40.79 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.449 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 33.5 t80 -54.72 -51.99 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CE1' HD22 ' A' ' 97' ' ' LEU . 24.1 m-85 -74.42 -31.02 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -48.87 -19.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.0 m -125.9 -33.0 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.7 m170 -97.98 130.37 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.423 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 12.5 t -56.42 157.2 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 HD22 ' CE1' ' A' ' 92' ' ' TYR . 12.6 mt -88.22 16.95 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 16.2 pttm -68.45 -42.07 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.8 mm-40 -43.46 -51.69 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -74.87 -49.26 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.53 100.07 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.64 -27.63 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.82 -27.06 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 1.5 tp -104.88 114.52 28.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -125.97 93.13 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.529 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 5.5 t -169.38 160.51 9.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' LEU . 25.1 p -127.33 132.95 50.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 21.1 mt -34.93 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -96.25 -74.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.18 146.19 34.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -79.66 -174.39 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -94.27 109.52 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.56 -20.82 62.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 80.9 p -81.3 3.19 24.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.97 -22.69 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.41 149.26 61.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.967 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.51 26.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.691 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.5 p-90 -81.15 15.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 14' ' ' THR . 10.9 t80 -94.76 124.4 38.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB1' ' CB ' ' A' ' 43' ' ' ARG . . . -85.42 -59.4 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 92.13 82.95 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 25.7 t30 43.87 44.64 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.2 ttp -71.39 157.84 37.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.13 124.69 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -41.11 -64.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -42.15 -56.79 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -51.47 -32.65 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.449 ' CG2' HD22 ' A' ' 41' ' ' LEU . 1.8 m -66.18 -49.72 66.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.91 -10.83 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -89.83 -41.13 12.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 3.3 pp -82.91 -34.12 26.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.9 mt -68.83 -56.44 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -38.86 -41.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -73.61 -35.33 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' LEU . 47.8 m-70 -60.72 -177.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 177.39 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 p -83.55 19.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.29 5.92 4.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.4 m -80.98 126.8 31.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 19.1 p90 -122.71 164.26 18.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 42' ' ' ILE . 2.0 pp -160.43 165.68 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 mp -140.97 110.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' NH1' ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -116.76 169.61 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -104.9 152.81 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' CB ' ' NH1' ' A' ' 43' ' ' ARG . . . -149.65 152.83 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.403 ' CD1' HD23 ' A' ' 88' ' ' LEU . 16.0 mt -116.7 138.26 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -131.16 122.98 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.67 142.77 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -88.67 112.01 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -146.59 140.14 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 61.86 40.82 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.81 33.29 13.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.84 135.43 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.08 113.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HG2' ' CD1' ' A' ' 104' ' ' LEU . 6.1 mptt -89.42 136.64 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -113.12 103.68 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.7 mt -91.44 154.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 146.82 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -114.59 139.24 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.37 158.33 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -134.41 102.45 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -132.46 149.61 52.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 51.45 37.6 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.0 m-80 59.81 37.83 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 18.4 m95 -130.92 174.86 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.28 123.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.15 -175.05 5.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLU . 32.8 pt -135.93 147.69 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' ILE . 6.7 t 33.92 32.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.0 mt-10 47.58 48.19 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.807 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.17 -55.98 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 2.4 mmmp? -135.8 120.62 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -82.27 112.02 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 80' ' ' LYS . 83.9 m-85 -112.9 167.83 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.37 -29.82 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -145.48 174.85 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 tp -68.02 -44.32 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.53 -53.59 22.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.98 -45.5 31.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 92' ' ' TYR . 8.8 tt -60.59 -41.11 94.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.16 -55.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.11 -34.35 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.44 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 9.4 t80 -61.34 -53.05 61.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 97' ' ' LEU . 22.7 m-85 -73.92 -22.22 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -54.38 -22.56 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.5 m -125.59 -29.57 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.44 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.3 m170 -99.02 130.04 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 17.5 t -48.72 132.13 17.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 92' ' ' TYR . 3.6 mt -59.03 -10.87 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.7 ptmt -46.82 -31.07 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.02 -43.8 19.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -81.1 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 51.0 m-85 -107.65 158.3 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -93.25 -28.04 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -85.23 -1.71 57.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 5.3 tp -114.67 106.86 14.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 85.92 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.3 t -165.82 160.77 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 26.8 p -126.37 130.44 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 21.2 mt -34.24 100.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.31 -73.31 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -116.36 150.93 46.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.732 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -169.03 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.674 2.249 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -97.64 149.54 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.428 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.24 120.56 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.6 p -103.17 130.04 50.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.75 -48.16 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -88.72 135.47 33.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 t -123.46 162.02 23.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.14 111.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.4 p -79.77 -52.98 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.62 124.65 15.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -98.59 145.67 26.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 12' ' ' ASP . 27.9 mt -61.53 135.91 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.402 ' N ' HG23 ' A' ' 11' ' ' ILE . 29.4 t0 -88.79 102.51 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -75.05 -21.73 58.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.567 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 40.3 p -79.99 7.71 8.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -20.04 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.713 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.2 m-85 -84.46 152.12 60.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -28.28 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.713 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -80.49 14.03 2.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.567 ' CZ ' HG22 ' A' ' 14' ' ' THR . 13.6 t80 -90.79 131.81 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' CB ' HD12 ' A' ' 41' ' ' LEU . . . -112.94 -44.99 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.21 -141.22 16.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.8 p30 -94.0 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.406 ' HG2' ' NH1' ' A' ' 43' ' ' ARG . 4.1 ptm -68.26 -178.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.58 119.86 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -39.82 -64.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -47.08 -41.99 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -61.89 -34.43 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.7 m -64.87 -51.22 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -71.64 -12.09 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.29 -38.7 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.6 pp -86.02 -37.3 19.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 mt -67.97 -55.58 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -43.2 -41.95 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -70.47 -39.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CD2' HG22 ' A' ' 39' ' ' THR . 8.0 m-70 -53.57 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.93 -179.85 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -84.83 35.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.39 14.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -88.01 117.92 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.0 p90 -116.39 161.05 19.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' ILE . 1.2 pp -161.7 157.49 24.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.466 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.8 mp -120.63 118.86 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' NH2' ' NH2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -115.5 164.36 14.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -109.81 154.99 22.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' NH2' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -125.62 143.02 43.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 84.25 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.24 . . . . 0.0 112.392 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.31 147.28 14.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.93 -58.28 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.35 -62.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -92.97 99.29 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -119.04 33.41 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -160.61 150.43 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.29 164.39 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 21.0 mt -137.74 125.33 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -121.71 123.75 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.51 134.92 61.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -81.95 108.16 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 27.0 t80 -148.57 134.39 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.486 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 11.9 t30 69.21 45.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 43.81 32.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -149.82 125.39 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 77.3 t -79.83 111.05 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -94.57 140.82 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -120.68 113.88 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.4 mt -99.52 150.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -105.61 143.19 34.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.0 t -107.39 136.32 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.9 125.84 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.19 104.66 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -140.64 149.58 42.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 73' ' ' TRP . 29.0 m-20 55.35 38.63 30.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.594 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 8.6 m120 58.95 28.77 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.594 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 10.2 m95 -125.65 162.07 25.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.94 124.28 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -159.56 175.58 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 77' ' ' THR . 37.8 pt -127.33 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 10.9 t 47.19 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.64 50.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.2 -25.85 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.561 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.3 tmtp? -161.42 125.83 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 2.8 pptp? -83.84 148.41 27.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 38.5 m-85 -144.54 138.87 27.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.65 -35.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -174.37 172.9 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 60.5 tp -46.14 -51.52 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.3 tp -43.06 -53.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -50.53 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.452 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.1 tt -51.26 -38.27 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.402 HG12 ' CD1' ' A' ' 108' ' ' LEU . 58.0 t -71.35 -52.93 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.97 -26.59 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 61.3 t80 -68.45 -52.61 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.78 -27.45 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -49.47 -23.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 70.2 m -121.1 -31.8 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -99.96 127.6 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t -52.14 155.02 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -86.64 12.79 9.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -64.96 -38.85 92.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.11 -47.7 34.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -82.3 -42.15 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -133.15 97.71 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -47.99 -51.37 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -50.1 -33.44 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 tp -99.8 117.67 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -129.91 94.4 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.486 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 14.7 t -167.27 169.17 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 95' ' ' HIS . 73.8 p -134.41 133.36 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 10.6 mt -37.79 103.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -94.76 -74.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.89 149.72 41.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.9 -176.35 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.625 2.217 . . . . 0.0 112.31 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 113' ' ' SER . 2.5 p90 -80.05 -174.82 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 112' ' ' TYR . 29.4 t -34.21 -48.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.33 146.78 21.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 94.53 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.612 2.208 . . . . 0.0 112.335 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -89.24 101.43 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 m -101.91 128.25 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -93.54 173.76 7.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.824 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -84.18 119.37 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 176.69 35.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 m -81.48 122.32 27.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -41.33 -44.66 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.72 121.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.564 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -80.55 -59.54 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.795 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -115.34 28.45 8.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -77.42 155.04 32.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.2 mt -85.87 147.59 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -104.25 95.38 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -78.3 -25.88 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.54 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 54.6 p -80.53 9.19 6.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.41 -22.22 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.698 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.9 m-85 -80.28 152.56 73.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.714 0.769 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -28.58 24.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.9 p-90 -79.35 12.06 2.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.54 ' CZ ' HG23 ' A' ' 14' ' ' THR . 8.8 t80 -93.67 135.45 34.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.04 -47.72 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.24 -138.72 14.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.18 78.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -95.35 159.68 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 mt-10 -107.47 126.92 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' GLU . 13.0 mmm-85 -33.98 -47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -66.55 -49.74 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -52.35 -49.74 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.6 m -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -72.63 -12.59 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -88.95 -34.56 16.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 pp -91.71 -33.55 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -68.25 -51.32 46.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 34' ' ' SER . 11.0 pttp -36.89 -44.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.6 t -68.64 -39.82 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.6 m-70 -59.28 -179.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.58 -175.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.2 m -84.07 16.79 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.11 1.15 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.0 m -79.53 124.18 28.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 14.5 p90 -126.27 158.41 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.37 162.1 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.94 117.86 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -125.51 155.19 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -98.16 127.18 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -129.74 139.65 36.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 103.67 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB2' ' CB ' ' A' ' 50' ' ' GLU . . . -138.38 171.57 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.43 105.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.83 36.18 19.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' CB ' ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -120.04 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -94.81 -64.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -114.16 175.85 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -149.9 129.79 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.462 ' CD1' HD21 ' A' ' 88' ' ' LEU . 18.4 mt -95.6 122.68 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.46 124.82 46.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.439 HD11 ' CG2' ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.04 140.82 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -84.2 126.48 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 80.2 t80 -168.62 138.74 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 64.5 45.35 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 45.31 33.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -151.3 137.65 18.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.1 t -89.69 108.26 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' CD1' ' A' ' 104' ' ' LEU . 6.4 mptt -84.21 144.28 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.21 107.77 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.22 151.62 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -111.87 121.96 46.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.977 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.3 t -88.44 112.93 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.63 130.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.02 104.52 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -133.68 149.96 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.3 m-20 48.8 45.82 21.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 29.0 t30 53.12 32.89 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.4 m95 -130.64 162.1 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.8 mt -129.56 126.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -156.33 -175.15 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 77' ' ' THR . 33.3 pt -143.26 145.33 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 11.4 t 44.22 25.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 43.22 43.86 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.24 -36.51 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -160.91 139.81 10.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -90.51 139.18 30.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -130.54 140.41 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.84 -27.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -175.21 -177.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.2 tp -62.68 -47.96 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -45.73 -54.81 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.79 -51.02 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.462 HD21 ' CD1' ' A' ' 54' ' ' ILE . 6.9 tt -50.24 -42.56 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 50.2 t -67.66 -46.85 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -61.38 -24.12 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.452 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 18.2 t80 -71.75 -49.46 38.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -75.44 -20.99 58.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.953 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -56.17 -23.78 37.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.947 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.0 m -122.96 -28.58 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -102.1 133.81 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -60.18 153.59 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.445 ' CD1' HD21 ' A' ' 104' ' ' LEU . 7.8 mt -81.21 -11.96 59.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -44.18 -38.49 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -48.15 -49.4 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 m -81.74 -45.13 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.76 96.51 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -47.18 -37.34 9.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.01 -30.54 71.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 2.6 tp -100.9 105.56 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.64 90.42 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.7 t -164.53 160.93 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.41 HG22 ' C ' ' A' ' 95' ' ' HIS . 24.6 p -125.59 136.23 53.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 19.3 mt -42.23 96.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' THR . 71.0 mttt -87.71 -73.47 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -116.05 150.26 44.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -165.21 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -90.6 -176.32 4.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.477 ' N ' ' HE2' ' A' ' 35' ' ' HIS . 24.5 t -37.24 -68.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 167.19 13.44 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 158.13 58.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.6 m 65.38 38.84 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.6 m -140.42 160.18 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -114.39 145.31 41.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -103.23 115.74 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.34 52.66 0.31 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -83.49 154.46 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -126.39 108.48 11.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.39 68.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -164.73 142.6 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.953 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 17.5 ttm180 -127.07 140.27 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 9' ' ' ARG . 1.2 mp0 -124.84 151.58 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.449 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.6 mt -51.17 147.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -98.65 88.44 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.449 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.8 m-85 -72.96 -19.18 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.566 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.8 p -80.89 6.57 12.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -19.58 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.051 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.28 150.71 64.73 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.14 27.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.702 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.3 p-90 -83.35 15.32 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.566 ' CE1' HG22 ' A' ' 14' ' ' THR . 6.5 t80 -92.9 131.55 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -106.29 -56.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.31 -133.18 11.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -74.22 61.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.466 ' HE1' ' CD2' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -83.19 159.03 22.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.6 mm-40 -105.47 127.69 53.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLU . 1.9 mpp_? -35.65 -43.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.42 -49.83 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -51.19 -46.75 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -60.57 -48.11 83.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.37 -10.85 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.62 -30.98 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 1.3 pp -93.13 -40.1 10.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.6 mt -64.42 -49.04 73.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -41.01 -30.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 t -84.76 -35.16 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LEU . 20.4 m-70 -58.35 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.41 -174.87 4.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -85.95 26.25 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.44 7.48 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.9 m -85.57 120.24 26.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 26.4 p90 -119.69 157.66 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD11 ' N ' ' A' ' 42' ' ' ILE . 0.7 OUTLIER -159.32 158.5 32.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.476 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.6 mp -126.15 122.07 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -113.83 174.67 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' ARG . 13.5 tp10 -111.84 125.37 53.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -110.56 134.98 20.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.778 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 100.62 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.618 2.212 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -173.15 155.14 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -76.14 -57.21 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.18 -56.92 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -96.45 79.29 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.656 ' NE ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -77.8 -42.04 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' ' NE ' ' A' ' 51' ' ' ARG . 20.1 m-85 -110.87 152.93 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.48 148.22 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.024 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.427 HG21 ' N ' ' A' ' 55' ' ' SER . 13.5 mt -116.43 143.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.427 ' N ' HG21 ' A' ' 54' ' ' ILE . 1.1 p -139.06 130.38 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.31 144.9 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.509 ' HZ2' ' N ' ' A' ' 61' ' ' GLU . 11.9 tptp -86.6 119.13 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 11.6 t80 -167.77 146.14 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.514 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.7 t-20 69.57 40.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 49.33 26.38 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' N ' ' HZ2' ' A' ' 57' ' ' LYS . 2.8 mm-40 -150.7 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.21 110.72 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 35.4 mmtt -88.26 151.82 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -131.85 104.14 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.78 140.58 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -105.62 122.21 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.9 t -82.13 161.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.9 t -136.41 131.38 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.31 103.67 11.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -141.51 149.62 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.6 t70 57.26 33.59 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 39.6 m-20 60.96 37.18 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 37.5 m95 -142.36 172.53 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 mt -133.39 136.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -168.7 -174.99 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 77' ' ' THR . 41.3 pt -137.94 143.25 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 11.7 t 44.47 25.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 48.01 44.42 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.07 -33.13 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -169.68 124.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 123.75 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -113.6 158.21 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' HB3' ' CD ' ' A' ' 87' ' ' GLU . 14.1 t0 -59.73 -29.75 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -172.74 -176.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.9 tp -60.5 -50.92 71.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -44.2 -54.17 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 83' ' ' ASP . 23.5 mt-10 -54.66 -47.17 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.68 -40.09 82.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.4 t -68.92 -53.48 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.47 -27.87 62.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 83.3 t80 -67.0 -52.87 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -71.05 -28.48 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -46.55 -25.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.2 m -119.7 -30.85 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.52 127.05 45.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.408 ' HG ' ' N ' ' A' ' 106' ' ' THR . 1.6 t -53.06 155.31 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.88 9.73 15.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -63.49 -36.9 85.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -49.35 -47.26 47.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 t -79.7 -52.52 7.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -119.12 108.03 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -56.62 -21.2 25.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -86.26 -21.19 27.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp -105.25 108.44 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.76 94.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.408 ' N ' ' HG ' ' A' ' 96' ' ' SER . 10.3 t -172.96 164.35 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.405 HG22 ' C ' ' A' ' 95' ' ' HIS . 31.8 p -130.04 141.64 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 13.5 mt -46.36 97.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -85.74 -70.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.26 152.37 50.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.73 0.776 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -99.68 -175.04 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 2.7 t -82.2 101.25 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.54 172.7 18.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.2 p -107.82 29.07 7.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.1 p -87.36 134.79 33.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -144.75 141.19 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -91.84 144.94 24.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.32 155.48 8.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -140.45 113.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 46.01 42.58 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.24 112.76 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -69.39 157.62 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -58.0 96.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.06 154.69 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 36.5 mt -63.0 135.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -78.12 83.95 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.7 m-85 -67.52 -19.48 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.552 HG22 ' CE2' ' A' ' 19' ' ' PHE . 44.2 p -83.21 6.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.47 -20.01 18.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.0 m-85 -79.76 151.26 73.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -27.92 25.82 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.9 p-90 -80.37 13.18 2.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' CE2' HG22 ' A' ' 14' ' ' THR . 5.1 t80 -99.01 123.43 43.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.446 ' CB ' ' HE1' ' A' ' 23' ' ' MET . . . -98.39 -37.38 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.69 -143.81 16.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.91 56.12 2.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.331 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.446 ' HE1' ' CB ' ' A' ' 20' ' ' ALA . 28.9 ttp -83.06 155.39 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ARG . 26.7 mt-10 -95.84 137.16 35.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 17.4 ttp180 -34.99 -64.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -45.56 -55.28 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -49.65 -30.06 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 m -76.06 -46.91 26.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD2' ' CG1' ' A' ' 62' ' ' VAL . 6.7 t0 -66.47 -26.96 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.439 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 30.7 m-20 -74.13 -35.1 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -92.33 -23.58 19.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' LYS . 13.7 mt -85.13 -49.03 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 11.8 ptmm? -37.74 -46.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -70.99 -40.67 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.419 ' CD2' HG23 ' A' ' 39' ' ' THR . 8.8 m-70 -52.34 174.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.37 -177.62 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 m -85.68 23.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.78 -3.32 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.419 HG23 ' CD2' ' A' ' 35' ' ' HIS . 81.9 m -72.2 116.46 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 111.13 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 15.5 p90 -117.09 162.17 18.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -170.73 167.0 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' N ' HD11 ' A' ' 41' ' ' LEU . 3.9 mp -130.54 117.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.79 157.0 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -100.57 131.68 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -100.36 142.57 24.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.79 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.44 176.71 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.24 -56.07 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.2 -73.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.54 155.5 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 20.3 ttm105 -129.27 -42.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -108.03 147.87 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -139.9 152.18 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 20.6 mt -121.5 126.77 75.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -122.45 111.45 16.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.03 131.16 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 61' ' ' GLU . 16.2 tptm -80.28 120.32 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -153.51 145.36 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 56.77 39.89 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.43 27.66 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.469 ' N ' ' HE2' ' A' ' 57' ' ' LYS . 52.4 mt-10 -147.55 131.61 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' CG1' ' OD2' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -87.18 115.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -88.04 147.16 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.456 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 72.9 m-70 -122.46 103.48 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mt -101.21 148.81 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.89 147.7 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.0 t -107.93 119.3 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -84.67 111.41 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HG3' ' CG1' ' A' ' 74' ' ' ILE . 2.7 tt0 -108.24 102.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -147.96 149.75 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 87.6 m-20 57.2 42.33 25.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 54.14 31.06 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 29.6 m95 -127.38 154.77 44.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.403 ' CG1' ' HG3' ' A' ' 69' ' ' GLU . 10.0 mt -131.43 124.49 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -162.61 179.37 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' O ' ' CG2' ' A' ' 77' ' ' THR . 38.1 pt -136.84 146.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 13.2 t 44.38 25.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 44.78 48.95 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.09 -46.16 6.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -154.67 134.44 12.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 138.34 31.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -127.61 151.35 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.8 -23.73 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.0 m -172.3 178.75 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -62.43 -51.0 69.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.4 tp -41.65 -50.13 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.22 -46.39 82.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' A' ' 88' ' ' LEU . 4.3 tt -57.21 -53.08 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.4 t -57.14 -49.35 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.19 -24.07 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.435 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 22.8 t80 -69.42 -53.55 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -72.68 -25.64 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -49.62 -24.28 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.6 -32.27 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.02 130.2 44.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -54.24 159.64 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.0 mt -92.72 6.45 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -60.59 -31.88 71.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.12 -50.03 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.493 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.4 t -82.2 -46.58 13.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 46.1 m-85 -125.61 100.16 6.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -51.88 -28.49 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -73.91 -25.98 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.4 tp -106.07 92.2 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.27 80.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.2 t -154.3 173.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' LEU . 74.4 p -135.02 131.19 36.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.514 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -98.05 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.92 148.49 40.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -175.95 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE2' ' HA2' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -82.83 -177.1 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t -96.85 -75.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.565 ' HA2' ' CE2' ' A' ' 112' ' ' TYR . . . 139.64 -169.17 24.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.55 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.7 p -108.38 93.07 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.0 m -67.75 101.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -115.02 -50.64 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.892 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m 43.86 42.03 4.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.7 44.48 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -69.1 148.85 49.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -70.6 -55.88 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.73 115.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.559 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -155.87 133.75 11.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -93.16 132.52 37.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -81.77 161.85 23.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.2 mt -45.64 140.38 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.89 97.3 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -79.15 -21.8 45.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.554 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 79.2 p -77.82 2.76 16.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.58 -28.47 19.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.658 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 65.6 m-85 -75.83 149.11 82.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -26.69 27.49 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.6 p-90 -82.15 14.5 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' CZ ' HG21 ' A' ' 14' ' ' THR . 14.0 t80 -90.34 129.33 36.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB1' ' CD1' ' A' ' 41' ' ' LEU . . . -98.74 -59.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 81.9 109.0 0.39 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.6 p30 33.7 54.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 2.5 tpp -76.9 151.37 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.7 mm-40 -82.72 117.06 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -40.92 -28.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -82.5 -48.26 11.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.39 -19.11 65.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -79.83 -44.99 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -80.14 -11.3 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -88.92 -35.32 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' CD2' ' HE3' ' A' ' 23' ' ' MET . 1.7 pp -89.77 -37.02 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' HG21 ' A' ' 39' ' ' THR . 23.5 mt -65.92 -41.75 90.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.2 -24.97 12.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -84.91 -29.68 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -68.07 -178.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.29 -174.96 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 p -86.04 29.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.34 13.25 2.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 HG21 ' CD2' ' A' ' 32' ' ' LEU . 17.6 m -90.79 122.84 33.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.52 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.4 p90 -120.18 165.37 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 42' ' ' ILE . 0.8 OUTLIER -164.38 158.66 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.9 mp -127.97 117.76 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -116.6 174.86 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -119.04 118.63 31.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 9.0 mtp-105 -89.97 143.65 30.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.618 2.212 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.81 153.78 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.93 -39.81 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.18 -64.63 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -67.94 96.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 15.0 mmt85 -114.49 27.46 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 36.6 m-85 -164.23 147.45 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.8 141.12 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 88' ' ' LEU . 20.8 mt -111.11 122.22 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 124.46 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -134.54 143.81 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -88.19 116.56 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -155.12 130.71 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 69.34 40.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 50.19 33.5 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -149.39 133.01 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.79 106.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -89.16 130.26 35.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.34 114.39 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.09 107.09 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -71.2 112.48 7.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -76.58 110.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 75' ' ' HIS . 66.9 t -80.18 138.07 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.51 102.84 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -130.73 149.92 52.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.4 m-20 58.13 33.52 23.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.55 27.62 16.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 30.7 m95 -129.03 166.8 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mp -113.14 140.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 81' ' ' LYS . 5.3 p80 -167.1 168.03 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.489 ' O ' ' CG2' ' A' ' 77' ' ' THR . 24.8 pt -140.39 144.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 12.6 t 46.51 25.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 41.99 45.31 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -116.12 -36.59 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.1 134.16 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.472 ' CB ' ' HB3' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.33 162.73 17.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.67 162.73 33.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -51.76 -31.88 28.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.497 ' N ' ' OD1' ' A' ' 83' ' ' ASP . 26.5 p -163.49 -178.77 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 tp -73.06 -24.99 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 HD12 ' CZ ' ' A' ' 16' ' ' TYR . 37.4 tp -68.93 -51.61 38.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -35.25 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.457 HD21 ' CD1' ' A' ' 54' ' ' ILE . 6.6 tt -60.6 -41.3 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 93.4 t -70.8 -41.94 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.35 -26.88 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 28.0 t80 -74.2 -39.92 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -81.19 -24.68 37.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -56.32 -22.24 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.16 -28.37 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -106.37 148.03 28.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -72.65 149.68 43.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.09 0.41 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.14 -32.91 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -45.88 -42.76 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 m -92.63 -54.9 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -110.14 99.57 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.09 14.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -85.23 -18.22 34.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 3.1 tp -112.01 109.56 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.69 89.02 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 t -152.11 158.03 42.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 109' ' ' LYS . 26.6 p -128.74 131.5 47.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.52 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.9 mt -46.54 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' THR . 10.2 mtmm -83.73 -69.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -115.92 148.32 41.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -168.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -95.52 -174.83 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -68.02 72.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.38 160.27 53.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 127.56 14.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.769 2.313 . . . . 0.0 112.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.8 p -101.83 165.08 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.1 m -116.01 122.95 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -93.76 122.02 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.811 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -134.73 139.91 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.77 -177.27 37.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -41.27 129.85 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 p -109.81 83.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.41 -129.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t 38.61 39.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -81.41 110.66 17.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' ILE . 23.1 tt0 -104.13 162.28 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 10' ' ' GLU . 86.8 mt -34.62 130.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -85.23 104.29 14.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -82.77 -27.27 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 82.4 p -75.58 5.43 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.51 -25.8 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.058 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 71.1 m-85 -78.25 150.48 77.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.97 26.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.597 2.198 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.67 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.9 p-90 -81.95 13.27 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.6 t80 -86.19 124.39 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.07 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 83.51 106.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.4 p-10 33.74 55.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.473 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 3.3 tpp -83.81 152.47 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' N ' ' HG3' ' A' ' 23' ' ' MET . 5.8 mm-40 -96.75 123.92 40.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLU . 37.6 mtm180 -35.23 -68.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -44.63 -59.67 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -48.69 -32.19 8.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -73.29 -43.46 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.52 -11.73 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -88.88 -34.66 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 pp -90.87 -34.15 15.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' CB ' HG22 ' A' ' 62' ' ' VAL . 19.4 mt -71.21 -43.05 68.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -46.26 -33.39 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -82.67 -26.59 31.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.6 m-70 -65.86 179.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.85 -176.16 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -87.62 31.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.7 8.22 1.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.7 m -86.58 124.59 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 20.6 p90 -125.43 165.92 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.5 OUTLIER -163.19 161.53 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.4 mp -126.42 111.63 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -105.12 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -127.39 103.78 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -95.64 125.78 47.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 105.44 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -126.73 171.85 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.05 -40.32 63.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.38 -72.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . 5.7 pt-20 -53.79 113.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.4 tpp180 -114.57 45.76 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.464 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 37.2 m-85 -162.39 148.69 13.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.73 161.23 42.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 10.9 mt -135.45 132.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -123.6 125.55 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -134.05 134.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -84.27 112.57 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 56.2 t80 -150.15 141.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 57.72 52.78 7.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 42.47 34.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -152.64 134.56 14.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.407 HG12 ' CD2' ' A' ' 64' ' ' HIS . 39.2 t -89.61 104.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -83.77 136.97 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.407 ' CD2' HG12 ' A' ' 62' ' ' VAL . 41.4 m-70 -115.01 129.02 56.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.59 143.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 1.1 mtmp? -103.16 103.05 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.464 ' HB ' ' CB ' ' A' ' 52' ' ' PHE . 47.9 t -70.84 98.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 50' ' ' GLU . 79.5 t -75.84 137.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.15 103.2 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HG2' ' N ' ' A' ' 71' ' ' ASP . 15.8 ttmm -128.21 149.97 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 12.2 t70 56.89 34.76 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 92.3 m-20 60.89 32.75 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 28.7 m95 -137.27 151.73 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 mp -97.1 141.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -169.26 165.1 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.1 pt -139.38 145.59 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t 42.69 25.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 40.73 48.44 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.3 -48.75 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -144.46 107.9 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -89.13 159.03 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 48.9 m-85 -136.19 159.53 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.18 -36.81 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -157.78 173.72 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.83 -37.15 86.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.3 tp -54.09 -54.37 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -57.75 -50.97 71.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -46.14 -33.1 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 HG12 ' CD1' ' A' ' 108' ' ' LEU . 67.1 t -79.67 -49.62 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.6 -25.12 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.499 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 68.0 t80 -70.59 -50.79 33.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.467 ' CD2' HD23 ' A' ' 97' ' ' LEU . 26.6 m-85 -73.94 -21.29 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.91 -23.09 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.22 -25.25 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -106.29 132.99 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.442 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 41.7 t -53.78 156.85 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 HD23 ' CD2' ' A' ' 92' ' ' TYR . 6.0 mt -88.25 3.52 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 99' ' ' GLU . 15.9 pttp -58.88 -39.83 82.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' LYS . 19.5 mt-10 -36.26 -47.53 0.59 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.8 t -98.04 -46.11 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.442 ' CB ' ' HB3' ' A' ' 104' ' ' LEU . 79.5 m-85 -114.26 83.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -44.09 -60.21 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.54 -32.25 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.442 ' HB3' ' CB ' ' A' ' 101' ' ' PHE . 3.2 tp -95.33 90.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 17.5 t70 -105.14 97.44 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.442 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 5.3 t -167.45 153.49 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.442 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 70.7 p -120.84 141.45 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.537 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 8.8 mt -53.21 99.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -91.97 -72.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -112.9 149.67 41.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.751 0.786 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -166.42 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 0.0 112.31 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.9 -178.6 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m -78.62 95.6 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.93 -166.59 33.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' SER . 53.4 Cg_endo -69.75 -6.72 19.28 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.773 2.316 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' PRO . 1.3 t -36.46 97.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' PRO . 40.6 t -127.89 144.31 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -44.15 128.28 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -119.67 -58.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.33 -122.65 6.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -120.33 165.77 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.952 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -148.08 149.13 31.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.35 70.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.438 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.8 p -79.91 126.72 31.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -129.11 84.97 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -103.63 164.42 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 89.5 mt -46.13 127.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.08 91.37 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 7.8 m-85 -70.0 -36.7 75.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.521 ' HA ' ' CG ' ' A' ' 19' ' ' PHE . 69.4 p -66.74 -3.68 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.7 -21.66 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.695 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 88.0 m-85 -87.02 150.47 49.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -29.47 24.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.695 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -79.01 11.98 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.521 ' CG ' ' HA ' ' A' ' 14' ' ' THR . 15.5 t80 -83.43 134.26 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 21' ' ' GLY . . . -125.54 -16.09 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 34.44 -138.39 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -61.46 76.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.463 ' HE1' ' CD2' ' A' ' 31' ' ' LEU . 2.0 tpp -100.12 150.87 22.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.1 mt-10 -79.93 128.74 33.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.11 -22.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -85.77 -41.38 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -47.19 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -52.91 -53.03 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.28 -30.12 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -69.19 -32.88 72.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 4.0 pp -93.2 -42.57 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' HG21 ' A' ' 39' ' ' THR . 24.2 mt -61.87 -49.66 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -41.85 -41.48 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -74.94 -41.65 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' HE2' ' N ' ' A' ' 113' ' ' SER . 5.5 m-70 -54.4 179.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.0 -175.97 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 m -83.41 19.93 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.92 -4.46 5.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.463 HG21 ' CD2' ' A' ' 32' ' ' LEU . 55.2 m -76.76 124.53 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.57 ' CE2' HD11 ' A' ' 108' ' ' LEU . 23.5 p90 -125.16 171.92 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 42' ' ' ILE . 1.4 pp -171.49 157.98 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.458 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.6 mp -119.89 112.86 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.98 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -139.89 132.94 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 14.7 mtp-105 -127.37 112.57 21.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.756 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 119.33 6.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.4 160.16 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -43.48 -30.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 -174.55 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -37.52 148.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -116.89 42.62 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 13.6 m-85 -159.06 146.12 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.16 149.83 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.3 mt -120.15 126.69 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 64' ' ' HIS . 30.9 m -117.16 116.49 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 mp -129.48 138.47 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -80.66 124.91 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 106' ' ' THR . 27.2 t80 -159.16 142.94 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.8 31.72 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.03 30.02 19.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -144.12 131.04 20.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' CG1' HD11 ' A' ' 32' ' ' LEU . 46.3 t -81.81 109.35 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -89.97 157.54 17.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' CE1' ' OG ' ' A' ' 55' ' ' SER . 76.4 m-70 -139.83 113.09 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -99.67 151.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -106.52 103.34 12.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.401 ' HB ' ' CB ' ' A' ' 52' ' ' PHE . 85.9 t -72.04 94.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.403 HG11 ' NE2' ' A' ' 75' ' ' HIS . 70.8 t -63.51 139.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -133.29 106.86 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -137.18 147.54 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.88 25.76 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 69.36 34.1 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 24.9 m95 -136.64 148.17 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 mp -100.87 144.98 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.403 ' NE2' HG11 ' A' ' 68' ' ' VAL . 7.9 p80 -172.83 172.71 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLU . 45.5 pt -143.46 153.63 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 77' ' ' THR . 1.4 t 32.02 35.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.5 mt-10 34.66 50.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -110.88 -51.54 2.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -141.18 131.31 24.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -100.34 160.81 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' HZ ' ' CD2' ' A' ' 91' ' ' TYR . 52.6 m-85 -144.73 158.93 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.71 -27.49 40.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.2 m -174.97 -175.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.0 tp -63.21 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 62.3 tp -46.79 -55.9 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.53 -52.49 59.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 89' ' ' VAL . 3.7 tt -47.57 -42.78 24.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 88' ' ' LEU . 58.2 t -69.33 -58.11 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.24 -26.9 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.432 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 20.5 t80 -69.87 -48.12 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.47 -18.68 56.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.16 -21.77 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.4 t -125.36 -26.2 3.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.432 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.2 m170 -104.67 131.39 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -56.22 152.9 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.16 10.45 8.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -65.42 -32.98 74.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -48.88 -48.29 42.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.3 m -84.74 -51.46 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -117.66 100.15 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -55.31 -21.8 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.99 -23.54 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.86 101.88 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.23 94.02 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.573 ' HB ' ' CE1' ' A' ' 58' ' ' PHE . 13.8 t -166.54 166.92 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.42 HG23 ' C ' ' A' ' 95' ' ' HIS . 32.6 p -132.97 131.52 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 40' ' ' TYR . 13.4 mt -40.8 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.02 -74.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.18 149.84 41.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.61 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.396 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -90.49 177.06 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.492 ' N ' ' HE2' ' A' ' 35' ' ' HIS . 51.1 p -65.4 79.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -65.79 167.68 33.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 125.07 11.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t -131.74 -45.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -64.56 93.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -78.29 115.49 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -72.72 -57.07 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 128.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 m -76.39 -46.78 25.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.942 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -48.66 166.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.49 112.08 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.9 p -167.13 177.81 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' C ' ' OE2' ' A' ' 10' ' ' GLU . 15.7 mmm180 -107.3 126.97 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' OE2' ' C ' ' A' ' 9' ' ' ARG . 1.4 mp0 -110.43 168.14 9.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.426 ' CG2' HD21 ' A' ' 86' ' ' LEU . 43.1 mt -63.07 135.69 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -95.74 104.05 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.54 -32.37 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.523 ' HA ' ' CG ' ' A' ' 19' ' ' PHE . 54.0 p -68.98 -1.2 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 -25.7 24.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 m-85 -80.32 150.37 70.7 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.653 0.739 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.83 21.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.609 2.206 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.639 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.5 p-90 -75.64 6.33 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.523 ' CG ' ' HA ' ' A' ' 14' ' ' THR . 25.4 t80 -78.63 130.23 35.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.71 -62.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.068 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 79.49 101.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' GLY . 16.6 t-20 34.29 52.99 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.469 ' CE ' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -84.91 151.5 24.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 25.4 mt-10 -88.18 119.79 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLU . 45.9 ttp180 -37.58 -58.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.463 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 18.4 tp60 -47.46 -41.28 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.478 ' O ' ' CD2' ' A' ' 31' ' ' LEU . 16.3 mt-30 -72.17 -29.28 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' CG2' HD23 ' A' ' 41' ' ' LEU . 2.8 m -76.62 -38.22 55.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -83.57 -18.53 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 27.6 m-20 -80.84 -31.64 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' CD2' ' O ' ' A' ' 27' ' ' GLN . 3.9 pp -92.77 -39.04 11.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' HIS . 19.2 mt -64.8 -52.23 57.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -41.0 -38.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -80.93 -29.17 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.5 m-70 -61.33 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -89.94 24.91 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.01 1.49 2.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.8 m -73.4 117.46 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -120.18 167.14 12.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD13 ' N ' ' A' ' 42' ' ' ILE . 2.0 pp -170.62 164.27 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.49 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.7 mp -132.96 110.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.206 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' ALA . 27.7 ptt85 -102.95 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -110.3 104.5 13.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -98.0 122.36 54.74 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 97.41 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.94 -177.54 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.93 -44.06 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.29 10.55 29.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' CD ' ' HD3' ' A' ' 66' ' ' LYS . 17.0 mt-10 -132.96 160.27 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -131.51 -46.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.416 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -121.93 174.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.23 144.85 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.401 ' CD1' HD22 ' A' ' 88' ' ' LEU . 13.7 mt -118.34 132.92 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 t -130.2 134.57 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -140.28 138.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -86.22 104.63 15.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 68.3 t80 -150.76 135.77 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.91 41.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 45.6 35.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 21.6 mt-10 -154.66 131.34 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 55.1 t -82.5 111.72 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' HE2' ' CD1' ' A' ' 104' ' ' LEU . 6.2 mptt -89.46 129.89 35.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.07 113.87 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.74 148.59 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.401 ' HD3' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -105.18 151.07 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.86 102.2 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.85 136.9 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -130.72 104.52 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -144.38 148.77 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.507 ' HB2' ' CD1' ' A' ' 73' ' ' TRP . 20.2 m-20 55.14 25.93 7.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 71.9 26.35 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.507 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 9.5 m95 -117.27 164.22 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -142.34 115.54 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.9 -179.39 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 77' ' ' THR . 13.5 pt -137.83 139.76 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 10.9 t 44.67 25.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 51.28 46.16 26.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.01 -46.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -157.54 137.37 12.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 168.44 9.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 51.9 m-85 -147.39 169.99 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.93 -33.03 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -162.42 170.55 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 52' ' ' PHE . 31.2 tp -58.32 -25.65 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.426 HD21 ' CG2' ' A' ' 11' ' ' ILE . 57.2 tp -70.1 -47.58 61.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.24 -44.84 88.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.0 tt -58.46 -37.79 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 63.7 t -72.35 -49.76 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.88 -28.45 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 46.8 t80 -67.14 -51.45 53.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.41 ' CD2' HD23 ' A' ' 88' ' ' LEU . 27.0 m-85 -74.07 -23.22 59.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -52.02 -23.67 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -123.01 -31.48 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -98.28 127.43 44.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.447 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 33.8 t -51.01 141.22 14.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.53 -6.82 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -47.29 -34.63 6.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -43.21 -53.89 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.511 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.3 t -78.45 -49.48 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.511 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 26.2 m-85 -123.77 97.14 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.99 -34.49 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -64.23 -31.66 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' CD1' ' HE2' ' A' ' 63' ' ' LYS . 2.1 tp -97.45 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -122.7 94.91 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.416 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 6.6 t -168.77 152.32 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.447 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 40.3 p -123.88 130.78 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.561 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 13.0 mt -34.41 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -97.67 -74.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -115.44 148.91 41.93 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.611 0.719 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.66 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.565 ' CE2' ' HA2' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.83 -175.42 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t -98.35 -74.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.565 ' HA2' ' CE2' ' A' ' 112' ' ' TYR . . . 161.58 178.9 35.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.43 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.8 p -120.84 132.66 55.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t -92.97 152.53 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.502 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -136.72 170.51 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -158.71 177.5 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.81 108.34 0.73 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.424 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -93.04 92.96 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -115.42 161.55 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 83.27 0.64 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -75.18 98.86 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -88.83 43.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -88.1 166.02 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt -68.27 139.67 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 36.1 t0 -89.42 105.51 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -84.32 -20.95 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 19' ' ' PHE . 18.7 p -77.11 1.45 18.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.82 -19.94 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.668 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 80.7 m-85 -84.21 149.15 54.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -29.44 24.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.668 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.8 p-90 -78.02 9.08 3.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' HG23 ' A' ' 14' ' ' THR . 1.0 OUTLIER -100.29 128.07 46.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.88 -34.9 6.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 -136.42 13.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -74.16 68.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.469 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 1.9 tpp -91.69 151.81 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 23' ' ' MET . 36.8 mt-10 -89.51 146.0 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.18 -20.88 57.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.45 -52.19 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.17 -24.83 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 HG21 ' CB ' ' A' ' 55' ' ' SER . 2.9 m -82.2 -38.19 24.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -80.75 -11.73 59.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -94.66 -30.48 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD2' ' HE2' ' A' ' 23' ' ' MET . 0.7 OUTLIER -89.99 -38.76 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.5 mt -64.15 -50.61 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.81 -24.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . 32.2 t -84.55 -37.19 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' CD2' HG23 ' A' ' 39' ' ' THR . 13.2 m-70 -61.67 -176.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -176.36 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 m -84.93 31.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.53 6.12 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.541 HG23 ' CD2' ' A' ' 35' ' ' HIS . 18.4 m -84.06 133.21 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -133.48 169.09 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -171.01 159.06 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.497 HD11 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -123.73 109.8 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -106.46 170.11 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -130.31 147.48 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -123.57 123.47 26.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.688 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.13 14.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 55.12 48.36 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -167.1 135.28 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.59 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.498 ' O ' ' CG ' ' A' ' 51' ' ' ARG . 3.7 pt-20 -41.45 -50.96 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 9.1 ptt-85 47.9 40.73 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 51' ' ' ARG . 14.5 m-85 -158.88 138.23 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.07 152.34 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 28.4 mt -119.89 132.97 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.413 ' CB ' HG21 ' A' ' 28' ' ' THR . 1.2 t -119.39 124.03 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.42 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 1.9 mp -137.1 137.31 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -84.08 125.63 32.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 58.4 t80 -156.89 145.5 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.517 ' OD1' ' CE2' ' A' ' 58' ' ' PHE . 5.3 m120 45.93 54.61 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 43.57 30.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -142.22 143.59 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.6 t -102.9 106.3 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HG2' ' CD1' ' A' ' 104' ' ' LEU . 4.3 mptp? -83.24 158.32 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -132.46 110.77 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.4 mt -105.73 156.6 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.436 ' O ' ' CG2' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -115.49 152.85 32.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.442 ' CG1' ' CG2' ' A' ' 74' ' ' ILE . 3.5 t -128.83 90.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.49 ' HA ' ' CB ' ' A' ' 50' ' ' GLU . 2.2 p -76.77 162.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.38 103.56 7.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -129.65 149.75 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.568 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.9 m-20 49.03 44.83 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.1 t-20 54.61 29.04 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.7 m95 -130.32 174.75 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 85' ' ' LEU . 4.0 mt -136.55 124.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 1.8 p-80 -139.23 171.05 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' A' ' 77' ' ' THR . 5.0 pt -131.6 131.71 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 11.7 t 45.07 38.79 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' H ' ' CD2' ' A' ' 75' ' ' HIS . 48.9 mt-10 46.16 35.91 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.25 -72.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -125.92 131.42 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -95.53 162.67 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ILE . 37.7 m-85 -152.53 170.49 20.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -35.9 64.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.418 ' C ' HD11 ' A' ' 74' ' ' ILE . 3.6 m -156.4 -179.43 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.461 ' N ' HD11 ' A' ' 74' ' ' ILE . 12.7 tp -71.02 -43.06 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.23 -46.23 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -52.74 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.413 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.2 tt -48.83 -31.9 7.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 65.1 t -78.08 -46.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.72 -25.25 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 6.4 t80 -73.61 -48.65 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -76.21 -18.32 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.32 -24.94 63.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.37 -24.06 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.9 m170 -103.92 132.11 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.0 t -56.78 148.32 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.2 6.67 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.82 -32.06 73.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -44.24 -39.13 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -101.94 -42.2 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -120.68 86.36 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -41.86 -51.3 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -50.95 -34.37 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 3.2 tp -97.01 111.96 23.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.66 82.39 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.552 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.2 t -151.41 161.06 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.413 HG23 ' C ' ' A' ' 95' ' ' HIS . 72.9 p -128.66 140.71 51.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.519 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 13.4 mt -52.01 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -94.16 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -117.43 150.28 46.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.8 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -102.89 -175.02 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -70.99 86.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.82 175.49 6.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 119.13 6.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.3 p -39.7 -54.51 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.5 t -108.58 117.72 34.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.6 t -37.09 148.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -38.94 -53.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.35 -113.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.538 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -89.1 174.61 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -89.1 83.52 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.63 159.86 53.82 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -60.46 -56.86 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -147.81 122.3 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -112.75 158.15 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 13' ' ' TYR . 78.7 mt -70.77 131.54 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.71 90.87 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 11' ' ' ILE . 10.3 m-85 -69.08 -30.4 68.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.56 HG21 ' CE2' ' A' ' 19' ' ' PHE . 14.2 p -69.53 -1.13 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.78 -24.0 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 73.5 m-85 -81.09 148.63 64.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.7 0.762 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.13 25.82 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.67 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.7 p-90 -79.23 11.16 3.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.56 ' CE2' HG21 ' A' ' 14' ' ' THR . 2.9 t80 -97.75 130.19 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.54 -37.98 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.0 -137.82 21.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -71.37 68.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 6.3 ttm -99.94 157.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' MET . 34.8 mt-10 -101.16 144.41 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLN . 37.5 mtm180 -51.58 -56.3 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . 43.9 tt0 -37.93 -60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -59.53 -38.75 81.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 m -57.74 -47.51 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -77.57 -27.5 51.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.49 -31.03 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.08 -31.7 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' HIS . 25.5 mt -75.7 -51.06 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -38.21 -42.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -71.3 -37.03 71.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.7 m-70 -61.56 -179.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.4 -175.24 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.4 p -83.94 18.43 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.17 -1.6 6.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.431 HG23 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -76.16 126.14 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 15.5 p90 -126.61 166.15 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -165.62 158.78 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.8 mp -122.23 109.93 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -106.89 172.01 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -101.37 150.28 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -124.29 137.2 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.41 1.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.38 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.5 155.97 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -50.36 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.76 -46.2 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -65.4 81.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -113.81 28.05 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -149.48 146.34 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.62 140.32 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 33.5 mt -113.82 122.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HB2' ' ND1' ' A' ' 64' ' ' HIS . 28.4 t -118.61 126.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -135.81 143.08 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -80.55 111.29 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 58.0 t80 -151.99 140.01 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 72.78 34.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 56.71 25.81 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -151.24 149.6 29.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.21 117.78 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 3.8 mmmt -107.92 153.99 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.409 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 56.8 m-70 -132.09 150.31 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.9 110.88 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 146.04 54.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.4 t -118.62 138.0 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.155 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 69' ' ' GLU . 95.8 t -105.2 140.21 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 68' ' ' VAL . 2.5 tt0 -130.58 102.59 6.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -145.06 150.09 36.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 57.06 29.47 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.3 t30 65.53 32.19 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -128.92 153.81 47.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mt -125.88 124.54 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 3.0 p-80 -154.51 179.03 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 78' ' ' GLU . 6.8 pt -138.8 152.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.489 ' C ' ' O ' ' A' ' 76' ' ' ILE . 6.8 t 30.66 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' ILE . 6.5 tt0 37.65 49.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.2 -49.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 135.08 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -95.79 161.86 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.45 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 39.1 m-85 -148.63 158.03 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -53.29 -31.46 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -171.26 -177.57 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.98 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CB ' HD13 ' A' ' 11' ' ' ILE . 58.6 tp -64.71 -49.39 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.11 -42.44 99.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.45 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -57.75 -39.95 78.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 28.1 t -72.5 -47.17 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.65 -23.18 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 16.0 t80 -75.61 -50.04 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.44 ' CD1' HD23 ' A' ' 97' ' ' LEU . 22.5 m-85 -74.72 -21.81 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -54.97 -24.79 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 59.5 m -123.43 -28.17 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.485 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.3 m170 -100.68 134.91 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -59.11 155.67 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 92' ' ' TYR . 8.4 mt -91.07 6.95 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -60.29 -41.36 93.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.49 -44.05 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 m -81.18 -47.46 13.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -126.15 104.85 8.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.16 -21.44 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.94 -20.16 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 2.0 tp -111.89 105.82 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 4.7 m-20 -121.0 94.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -165.37 169.45 15.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.421 HG23 ' C ' ' A' ' 95' ' ' HIS . 25.6 p -134.1 131.94 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.496 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 7.6 mt -44.41 104.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 29.2 mttt -94.35 -74.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 5.2 m-85 -113.47 147.45 37.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -171.31 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -83.23 99.7 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.89 145.66 38.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.45 8.08 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.0 p -126.41 172.68 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -83.99 34.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -104.57 -49.05 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t 64.93 41.48 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.42 161.94 37.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -160.38 147.86 16.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.78 -31.75 0.51 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 t -64.14 -29.15 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.16 35.01 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -75.0 153.5 38.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.9 mp -43.31 118.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.5 92.94 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.18 -25.52 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 19' ' ' PHE . 21.1 p -73.03 0.99 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.64 -28.72 19.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 67.3 m-85 -76.83 149.12 80.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.64 27.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.65 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.7 p-90 -82.05 14.07 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 14' ' ' THR . 11.6 t80 -89.41 127.32 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.58 -47.85 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 -149.18 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.78 54.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.408 ' CE ' HG23 ' A' ' 28' ' ' THR . 6.6 ttp -78.8 158.81 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -79.63 131.72 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -50.83 -50.62 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.12 -49.91 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -58.92 -46.19 88.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 HG23 ' CE ' ' A' ' 23' ' ' MET . 1.5 m -61.95 -48.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.45 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . 36.1 t0 -63.37 -27.89 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -81.74 -65.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.91 -38.57 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' CD1' HG12 ' A' ' 62' ' ' VAL . 8.7 mt -58.36 -33.89 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 37.4 mtpt -61.22 -44.83 96.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -66.75 -2.96 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.29 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.04 -178.33 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.8 p -85.69 15.43 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.62 -2.12 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -73.72 125.93 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.512 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -127.1 169.06 13.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' ILE . 2.5 pp -169.21 164.41 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.4 mp -127.26 115.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.35 168.11 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -118.31 102.98 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -89.86 135.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 110.44 2.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.54 137.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -43.0 -69.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -61.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -74.46 79.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -124.22 160.16 28.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.15 160.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.8 mt -119.04 144.45 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.3 m -137.81 117.68 13.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.9 mp -131.93 145.32 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 41.9 tptt -89.0 106.96 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 23.5 t80 -150.87 140.63 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.529 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 33.9 t30 66.53 33.58 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 53.5 27.79 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -145.82 132.22 19.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 29' ' ' ASP . 76.1 t -81.8 109.57 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 27.2 mmtt -92.91 149.31 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.2 mt -87.13 156.21 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.59 128.48 54.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.4 t -104.48 102.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 127.93 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.2 103.87 9.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -145.31 149.24 34.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.1 37.22 28.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.408 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 9.7 t-20 59.63 34.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.8 m95 -128.35 160.39 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 mt -138.07 125.41 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -167.72 -175.09 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.0 pt -137.64 154.77 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.466 ' C ' ' O ' ' A' ' 76' ' ' ILE . 7.0 t 31.86 36.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ILE . 21.8 mt-10 34.33 49.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.63 -33.42 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -163.57 127.08 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -83.42 141.79 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 28.5 m-85 -128.86 156.44 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.96 -29.88 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -166.09 -178.83 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.3 tp -68.43 -29.01 67.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.8 tp -62.5 -48.43 79.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.489 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -62.03 -37.0 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 57.4 t -78.51 -46.0 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.81 -23.42 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 11.2 t80 -72.43 -49.9 30.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' CG ' HD23 ' A' ' 97' ' ' LEU . 20.4 m-85 -75.89 -19.65 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -57.78 -23.2 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 41.4 t -124.06 -26.87 3.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.445 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.1 m170 -103.19 131.19 50.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.446 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 13.1 t -54.11 148.03 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.429 HD23 ' CG ' ' A' ' 92' ' ' TYR . 13.6 mt -78.13 -7.04 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.2 pttp -45.24 -44.62 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 7.2 mm-40 -38.0 -50.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 m -76.27 -56.37 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -118.16 107.59 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -56.42 -18.84 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -86.75 -17.99 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp -108.05 106.15 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -119.29 94.39 4.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 t -168.57 158.83 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.446 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 21.4 p -128.06 130.74 48.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.512 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 13.7 mt -39.65 102.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -92.41 -74.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -115.19 151.7 46.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.642 0.734 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.292 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.9 p90 -105.4 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' TYR . 1.6 t -34.49 -62.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.01 -162.02 46.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 90.4 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -73.75 111.06 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -103.53 34.6 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t 56.39 42.3 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -98.83 122.09 41.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.88 103.17 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -109.71 165.68 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -135.17 124.62 24.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.65 107.3 3.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -53.46 -45.59 69.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -104.41 85.49 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -114.06 161.12 18.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt -79.66 131.42 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.78 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -74.48 -28.37 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.56 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 44.8 p -75.34 4.12 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.57 -25.09 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.9 m-85 -82.04 150.48 65.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.749 0.785 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -29.4 24.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.666 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.2 p-90 -78.58 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.601 ' CZ ' ' CA ' ' A' ' 21' ' ' GLY . 20.0 t80 -82.56 130.41 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.58 -52.13 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.601 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 74.31 92.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.522 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 47.09 49.16 15.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.549 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -80.09 152.05 29.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.474 ' N ' ' HG3' ' A' ' 23' ' ' MET . 1.3 pt-20 -97.07 119.29 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' GLU . 27.7 ttm180 -34.2 -44.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -53.92 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -55.46 -35.05 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' CG2' HD22 ' A' ' 41' ' ' LEU . 4.2 m -64.76 -49.75 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.48 -16.51 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.97 -28.61 17.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 0.6 OUTLIER -92.46 -40.42 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 20.4 mt -66.07 -49.53 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.54 -36.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -78.32 -41.57 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.04 177.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.42 -174.94 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.3 m -88.7 26.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.08 1.26 2.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 82.0 m -80.51 113.98 19.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.177 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 28.9 p90 -113.48 158.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 42' ' ' ILE . 1.3 pp -155.14 163.47 40.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 mp -133.71 115.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.505 ' NH2' ' CE1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER -101.45 169.68 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -115.23 108.21 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -91.79 107.29 21.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.843 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.87 109.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.78 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -80.48 -72.1 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.91 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 126.62 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -115.39 -55.4 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -109.78 158.97 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.91 156.51 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.468 HG23 ' N ' ' A' ' 55' ' ' SER . 14.0 mt -122.65 144.42 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.468 ' N ' HG23 ' A' ' 54' ' ' ILE . 1.5 m -137.88 117.68 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.83 169.17 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -115.91 112.71 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -142.85 150.34 39.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 54.5 35.32 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 59.61 31.08 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -142.67 158.41 43.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 t -107.99 106.81 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.78 149.7 22.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 72.9 m-70 -123.94 127.94 48.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.8 mt -113.64 107.95 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -72.01 141.74 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.24 131.88 53.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -108.06 134.22 50.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -116.03 106.01 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -140.18 146.82 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 75.2 m-20 56.97 38.93 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 79.5 m-20 56.72 39.06 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 39.7 m95 -143.52 162.04 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 85' ' ' LEU . 5.2 mt -123.14 127.41 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.36 169.0 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 77' ' ' THR . 33.8 pt -129.15 133.44 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 13.5 t 46.45 24.92 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 61.9 40.56 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.76 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 81' ' ' LYS . 7.9 tptp -143.03 144.93 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -103.74 142.85 33.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -133.56 159.21 41.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.75 -18.11 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' HD11 ' A' ' 74' ' ' ILE . 3.4 m -173.92 -179.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.428 ' N ' HD11 ' A' ' 74' ' ' ILE . 18.2 tp -63.71 -52.91 58.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -41.53 -50.99 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.99 -45.84 68.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 54' ' ' ILE . 8.9 tt -58.32 -41.48 84.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 87.4 t -68.46 -57.13 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -51.51 -33.22 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.483 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 36.1 t80 -65.81 -47.93 73.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -76.83 -21.29 55.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -56.51 -20.19 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.34 -30.06 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -101.25 133.04 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.42 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 31.7 t -58.54 153.31 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.5 mt -84.74 8.96 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.5 pttp -58.82 -40.93 85.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.0 mm-40 -49.03 -47.8 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 m -71.27 -45.47 63.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.4 117.8 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -11.03 11.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.38 -10.32 23.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -114.68 100.82 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.92 92.26 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.5 t -163.11 166.83 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 95' ' ' HIS . 43.6 p -138.14 130.91 29.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.555 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -41.54 105.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -95.25 -66.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.93 151.53 55.03 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.631 2.22 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 19' ' ' PHE . 1.6 p90 -99.66 -174.32 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -64.86 -172.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -153.62 173.77 32.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 97.78 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.8 m -156.05 119.02 4.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.0 m -97.51 109.87 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.42 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -43.09 -50.34 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -172.89 172.71 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.76 121.43 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 m -120.72 173.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -103.17 141.07 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 -69.81 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -71.61 160.68 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -102.03 149.78 23.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -114.82 152.78 31.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.3 mt -70.57 136.43 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.01 111.82 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -82.2 -30.94 30.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.571 HG23 ' CZ ' ' A' ' 19' ' ' PHE . 44.5 p -72.28 2.37 6.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 -20.85 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.686 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.1 m-85 -84.77 149.31 53.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.69 25.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.686 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.1 p-90 -81.06 15.6 1.81 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 14' ' ' THR . 10.6 t80 -92.62 117.49 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.83 -66.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 98.62 73.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.3 p30 36.71 45.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.0 ptm -69.77 -176.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -87.9 141.59 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.29 -53.9 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 27' ' ' GLN . 10.3 pt20 -56.26 -41.12 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 12.8 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.456 ' CG2' HD22 ' A' ' 41' ' ' LEU . 2.7 m -63.05 -51.26 67.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.35 -14.02 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 51.4 m-20 -86.72 -32.21 20.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.5 pp -93.13 -33.49 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.74 -49.76 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -41.09 -41.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.2 t -73.45 -39.95 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.407 ' CD2' HG22 ' A' ' 39' ' ' THR . 17.6 m-70 -51.01 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.98 -177.01 6.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.0 p -86.74 34.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.52 13.73 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.407 HG22 ' CD2' ' A' ' 35' ' ' HIS . 16.7 m -84.52 124.53 31.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.528 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -121.26 155.84 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 42' ' ' ILE . 2.3 pp -154.63 160.9 41.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 mp -133.93 109.89 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -114.12 174.07 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.67 147.29 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -114.32 146.35 35.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.546 0.689 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 106.17 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.32 -178.86 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.08 -44.65 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.64 -60.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.54 84.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 8.2 mmm-85 -115.66 44.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 9.4 m-85 -165.34 130.16 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.94 131.59 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.438 HD11 ' CD2' ' A' ' 88' ' ' LEU . 7.3 mt -101.22 123.24 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -116.2 124.56 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -129.94 136.47 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -84.05 110.44 18.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -151.04 130.0 12.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 73.53 44.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 48.18 31.15 2.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.57 133.08 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.96 101.6 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -83.93 131.31 34.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -110.68 114.83 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.0 mp -98.5 156.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -104.79 160.46 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.945 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.5 t -134.98 96.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 75' ' ' HIS . 7.6 p -80.87 157.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.55 102.93 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -138.06 149.95 46.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.25 24.99 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 70.24 31.53 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -128.79 173.28 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.9 mt -138.83 114.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.552 ' CE1' HG11 ' A' ' 68' ' ' VAL . 3.3 p-80 -138.13 176.68 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 78' ' ' GLU . 33.3 pt -137.13 146.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 77' ' ' THR . 1.3 t 32.01 35.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.6 mt-10 44.0 50.98 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.15 -36.17 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.61 132.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.493 ' HZ3' ' CE1' ' A' ' 75' ' ' HIS . 11.5 mmtt -91.08 137.28 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.1 m-85 -128.23 141.19 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 14.9 t0 -36.77 -37.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 m -165.49 -176.95 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 46.5 tp -61.89 -54.87 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.2 tp -39.8 -53.4 2.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -56.38 -51.5 68.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -52.05 -46.08 64.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 108' ' ' LEU . 93.6 t -63.08 -51.21 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.443 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.5 t80 -57.83 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.443 ' CE1' HD21 ' A' ' 97' ' ' LEU . 25.9 m-85 -71.56 -32.05 67.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -44.84 -25.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.924 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.3 m -119.07 -33.21 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.443 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -97.37 129.07 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -52.91 151.24 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 92' ' ' TYR . 4.4 mt -86.69 20.27 2.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -71.09 -37.23 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -51.04 -41.05 59.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -85.0 -53.26 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -119.98 113.69 20.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -61.33 -38.89 88.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.03 -20.96 65.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.7 tp -109.67 115.22 29.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -130.64 95.54 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -172.54 174.07 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' LEU . 55.2 p -134.0 132.42 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.528 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 6.4 mt -34.84 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -90.56 -73.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.85 149.09 41.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.296 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -95.55 170.05 9.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 t -75.08 103.97 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.01 171.97 41.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.422 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.25 44.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.611 2.207 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.3 p -149.52 129.01 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.8 t -44.01 134.9 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -145.13 127.14 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -158.94 165.17 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.94 123.16 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -145.06 157.98 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -111.53 121.98 46.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.793 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.09 105.45 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -115.25 82.59 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 57.14 50.62 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -119.81 161.47 20.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.6 mt -68.16 138.07 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 37.6 t0 -98.72 105.81 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.36 -23.9 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.571 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.9 p -76.99 5.38 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.32 -23.16 16.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 68.8 m-85 -77.72 149.82 78.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -24.68 29.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.266 . . . . 0.0 112.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.9 p-90 -84.6 14.77 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 t80 -94.4 129.13 41.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 95.91 97.39 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 21' ' ' GLY . 1.6 p30 33.22 54.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 24.1 ttp -75.06 156.02 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 133.33 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -42.79 -67.71 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -49.51 -47.53 48.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 6.6 tt0 -56.1 -20.73 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.405 ' CG2' HD23 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.61 -44.88 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -77.02 -14.14 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -94.23 -34.83 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.51 ' N ' ' OD1' ' A' ' 30' ' ' ASN . 0.5 OUTLIER -84.44 -24.97 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.5 mt -82.31 -30.94 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.92 -33.23 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -75.81 -23.89 55.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -80.69 177.34 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -179.5 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -82.59 16.54 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.54 5.2 6.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -82.64 125.17 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.465 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 19.7 p90 -121.37 166.26 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 42' ' ' ILE . 1.1 pp -163.26 157.17 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.2 mp -124.84 119.92 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' CG ' HD13 ' A' ' 41' ' ' LEU . 7.8 mtp180 -96.16 170.75 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HG3' ' CE1' ' A' ' 52' ' ' PHE . 22.4 tt0 -140.36 112.4 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -95.17 145.59 29.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' GLU . 54.4 Cg_endo -69.73 -169.53 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.373 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.59 89.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' PRO . 11.2 mm-40 -147.63 -175.01 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.92 -42.83 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -119.04 -175.0 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -126.66 -48.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.403 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 58.0 m-85 -122.99 161.05 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -147.5 149.44 32.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' CD1' HD21 ' A' ' 88' ' ' LEU . 29.1 mt -122.83 120.51 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -118.02 126.45 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -134.71 147.56 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -87.94 120.08 28.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 90.0 t80 -156.87 140.92 16.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 63.96 36.69 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 52.94 28.21 6.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -147.29 133.03 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.9 t -73.78 117.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -102.22 144.6 30.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.4 131.78 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.2 mt -121.29 98.01 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -64.22 148.01 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.3 t -123.6 146.3 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.9 m -121.68 155.71 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.33 102.36 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -133.32 149.81 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 53.6 35.65 21.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 33.1 m120 60.13 35.21 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.7 m95 -134.4 173.96 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.92 129.56 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -152.25 -177.72 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.4 pt -143.69 143.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t 38.56 27.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' ILE . 48.1 mt-10 48.61 45.52 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.95 -44.35 6.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.456 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 1.3 tppp? -153.26 139.0 17.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -99.86 126.39 45.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 34.7 m-85 -120.35 147.98 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.31 -29.22 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -170.07 179.81 3.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD21 ' N ' ' A' ' 86' ' ' LEU . 4.9 tt -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.414 ' N ' HD21 ' A' ' 85' ' ' LEU . 57.0 tp -48.7 -51.33 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.57 -38.7 92.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.1 tt -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 26.0 t -78.28 -48.16 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.585 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 52.3 t80 -69.18 -48.92 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.421 ' CD1' HD21 ' A' ' 97' ' ' LEU . 25.4 m-85 -75.94 -21.09 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -56.41 -22.06 29.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.2 m -125.07 -28.75 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -101.24 130.43 47.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 6.7 t -55.14 149.41 12.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.421 HD21 ' CD1' ' A' ' 92' ' ' TYR . 9.5 mt -79.88 12.09 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -68.89 -32.11 71.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -48.82 -46.69 42.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -84.78 -47.36 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -125.32 96.93 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -45.2 -51.47 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -54.02 -30.74 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.55 107.86 20.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 9.7 t70 -123.39 101.72 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.1 t -171.79 161.61 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.449 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 71.0 p -133.03 133.11 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 7.0 mt -45.07 107.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 57.2 mttt -100.08 -71.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -112.81 147.8 37.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.717 0.77 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -172.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.77 -174.91 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -104.53 102.23 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.93 -174.06 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 137.5 35.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 72.2 p 43.36 37.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -89.26 32.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 62.58 42.24 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -87.29 82.81 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.91 80.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -142.23 161.33 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -59.17 175.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.32 53.01 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.6 p -160.25 132.43 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.836 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -162.54 149.95 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -52.36 163.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt -71.38 133.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -75.24 91.49 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -76.02 -35.89 59.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.524 ' HA ' ' CG ' ' A' ' 19' ' ' PHE . 65.6 p -61.32 -8.9 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -26.98 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.506 ' CB ' ' CE2' ' A' ' 18' ' ' TRP . 61.0 m-85 -77.07 147.3 76.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.715 0.769 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -31.93 19.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.506 ' CE2' ' CB ' ' A' ' 16' ' ' TYR . 12.1 p-90 -72.14 1.77 6.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.524 ' CG ' ' HA ' ' A' ' 14' ' ' THR . 9.8 t80 -84.09 134.91 34.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.22 -49.81 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.07 -144.35 18.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 22.4 t30 -94.48 54.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ptm -74.18 -175.39 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -108.12 140.05 41.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -44.26 -52.64 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -52.0 -50.39 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.7 -44.6 63.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.0 m -58.77 -50.76 72.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' OD2' ' CG1' ' A' ' 62' ' ' VAL . 8.0 t0 -68.26 -29.53 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 54.2 m-20 -72.47 -36.62 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -89.19 -27.84 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' SER . 22.1 mt -79.7 -47.99 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 19.6 ptmt -35.74 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 38.9 t -88.8 -41.62 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.497 ' CG ' HG22 ' A' ' 39' ' ' THR . 19.9 m-70 -46.14 171.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.95 -174.79 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -87.18 30.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 9.09 1.07 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.497 HG22 ' CG ' ' A' ' 35' ' ' HIS . 52.9 m -82.86 126.11 32.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.534 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 17.8 p90 -126.29 164.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 42' ' ' ILE . 1.1 pp -169.58 159.06 8.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -123.86 123.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.08 174.09 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 1.9 tm-20 -137.96 118.6 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.13 142.23 24.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 50' ' ' GLU . . . -147.39 140.28 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -62.58 -66.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.96 -58.62 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 47' ' ' ALA . 8.6 mp0 -119.32 135.6 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -119.61 -35.44 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -104.82 143.76 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -141.74 162.68 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 ' CD1' HD23 ' A' ' 88' ' ' LEU . 48.9 mt -131.51 130.47 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 t -121.38 129.56 53.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.7 mp -140.59 130.02 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -80.0 112.28 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE2' ' CG ' ' A' ' 59' ' ' ASN . 85.3 t80 -145.3 155.37 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' CG ' ' CE2' ' A' ' 58' ' ' PHE . 23.2 m-20 52.22 38.35 24.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t0 56.62 26.6 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.34 125.77 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG1' ' OD2' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -71.24 115.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 49.7 mmtt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -113.78 128.31 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 45.1 mt -116.43 153.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -119.8 137.62 53.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 68' ' ' VAL . 40.2 t -100.49 151.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.407 ' N ' HG12 ' A' ' 67' ' ' VAL . 70.8 t -133.04 130.46 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 102.86 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -134.69 150.11 50.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.5 t70 53.34 41.24 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.62 25.28 11.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.7 m95 -128.8 166.77 18.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.98 130.47 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -158.08 177.39 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.9 pt -131.0 137.67 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.0 t 42.86 25.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 54.25 45.85 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.09 -48.94 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.569 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 5.6 tmtm? -148.98 122.5 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -78.86 121.05 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE1' ' HD2' ' A' ' 80' ' ' LYS . 48.8 m-85 -116.85 170.79 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -31.09 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -152.66 175.15 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.7 -24.67 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.83 -46.24 79.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.25 -40.46 96.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.501 ' HA ' ' CE2' ' A' ' 82' ' ' PHE . 6.7 tt -60.31 -35.84 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.406 HG11 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -75.91 -49.12 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.23 -34.05 75.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.4 t80 -56.67 -55.79 29.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.89 -34.02 72.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -42.28 -25.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 m -118.61 -31.43 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -100.68 127.64 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.455 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.1 t -51.75 146.46 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.1 mt -79.9 12.18 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -66.42 -36.44 82.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.22 -47.41 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 p -78.46 -43.87 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -129.22 104.5 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.02 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.89 -19.67 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.466 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 7.5 tp -109.26 106.0 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -119.03 91.28 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -172.29 157.71 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 41.6 p -123.67 131.79 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.534 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 12.1 mt -34.56 103.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -93.05 -74.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -112.71 147.26 36.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.753 0.787 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.404 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.408 ' CZ ' ' HA2' ' A' ' 114' ' ' GLY . 1.1 p90 -92.55 -174.93 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t -83.66 72.7 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.408 ' HA2' ' CZ ' ' A' ' 112' ' ' TYR . . . -90.38 -179.98 43.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.69 6.6 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.737 2.292 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' SER . 33.4 m -108.72 166.07 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 116' ' ' SER . 2.2 m 37.04 39.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.504 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -88.78 130.62 35.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -166.25 140.19 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.54 56.48 3.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.425 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -115.76 92.62 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -133.0 146.98 52.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.78 164.26 46.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 p -83.1 -43.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -126.23 49.14 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -114.19 165.68 12.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.5 mt -85.78 128.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.207 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.22 105.79 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -84.45 -27.05 27.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.563 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 74.7 p -70.73 -3.81 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.48 -30.81 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 61.2 m-85 -73.39 145.47 85.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.708 0.766 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -28.24 25.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.3 p-90 -77.89 5.16 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 14' ' ' THR . 1.1 t80 -94.76 128.0 41.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.92 -61.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 112.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.1 t30 40.25 53.24 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 4.1 ttm -89.35 155.9 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.52 147.03 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -28.13 67.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -80.76 -46.19 15.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -57.23 -37.78 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -63.91 -50.62 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -73.83 -13.0 60.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -86.71 -33.58 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pp -92.64 -38.19 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -65.35 -49.05 70.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -37.47 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -79.63 -32.5 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.3 m-70 -62.23 -177.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.26 -174.91 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 m -87.37 22.65 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -3.97 3.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.405 HG22 ' CD2' ' A' ' 32' ' ' LEU . 34.1 m -71.81 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 14.0 p90 -128.61 167.42 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 HD11 ' N ' ' A' ' 42' ' ' ILE . 2.8 pp -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' N ' HD11 ' A' ' 41' ' ' LEU . 2.7 mp -132.71 117.05 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.463 ' HG2' ' CD1' ' A' ' 41' ' ' LEU . 9.5 mtm-85 -103.07 164.83 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -129.27 120.26 25.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -98.49 138.13 20.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.707 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 94.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.24 174.23 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.02 -58.33 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.6 -55.04 25.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 25.4 mp0 -123.69 128.89 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -132.21 27.08 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CZ ' HD21 ' A' ' 85' ' ' LEU . 6.0 m-85 -157.4 153.26 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -150.07 156.27 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.0 mt -133.68 112.51 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -114.86 118.48 33.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -128.77 135.04 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -80.28 118.79 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -158.96 133.75 8.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 73.06 28.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.56 32.73 21.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -151.57 123.38 8.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 69.0 t -74.92 108.62 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 29.3 mmtt -91.48 144.47 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.32 115.82 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -109.72 107.15 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -75.51 135.11 40.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.59 137.26 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 69' ' ' GLU . 97.6 t -104.04 135.75 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HG2' ' CG1' ' A' ' 74' ' ' ILE . 8.2 mt-10 -124.87 102.4 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -139.2 150.04 45.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 52.91 44.36 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 52.97 38.52 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -131.38 174.27 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.44 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.7 mt -146.28 125.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -165.21 -175.02 3.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' GLU . 41.3 pt -137.62 153.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' ILE . 1.8 t 29.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 76' ' ' ILE . 3.1 mp0 36.48 50.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.4 -39.47 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.544 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -158.98 122.66 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -82.06 121.96 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.544 ' CZ ' ' HG2' ' A' ' 80' ' ' LYS . 44.0 m-85 -114.09 169.61 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -36.92 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -151.88 178.54 9.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD21 ' CZ ' ' A' ' 52' ' ' PHE . 23.8 tp -69.7 -27.14 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.9 tp -62.49 -51.45 67.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.08 -40.03 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 tt -60.51 -34.1 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.14 -50.54 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.146 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.78 -21.63 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.451 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 67.1 t80 -74.59 -49.76 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -74.3 -27.8 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.89 -24.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.96 -33.7 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -98.0 127.34 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 5.3 t -53.15 158.25 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.9 mt -84.58 -5.82 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 31.5 pttt -47.15 -43.64 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.421 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 41.5 mt-10 -45.4 -48.06 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.7 m -81.82 -42.94 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -133.37 96.2 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -50.35 6.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.09 -33.4 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.462 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 4.1 tp -98.39 111.16 23.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.33 92.33 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -166.52 165.25 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.453 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 49.9 p -132.61 130.67 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 9.7 mt -33.93 102.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -91.16 -74.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -116.95 148.34 41.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -169.66 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -102.03 -175.0 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.5 t -104.56 114.73 29.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.23 152.63 10.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.28 53.98 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -157.95 150.28 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m -148.12 171.04 16.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -63.93 142.99 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.816 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -45.81 -48.93 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.68 167.45 24.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -133.45 42.42 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -173.75 168.12 4.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.91 -90.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -71.88 -53.02 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 10' ' ' GLU . 20.3 ttt180 63.26 43.63 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 9' ' ' ARG . 15.5 mp0 -34.61 149.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.497 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 57.3 mt -45.19 133.94 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -83.92 88.53 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 13.1 m-85 -71.65 -27.88 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.568 ' HA ' ' CD1' ' A' ' 19' ' ' PHE . 52.4 p -69.0 -2.54 10.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.29 -26.39 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 72.5 m-85 -81.33 147.48 60.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.95 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.3 p-90 -74.46 4.32 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 14' ' ' THR . 2.0 t80 -95.3 129.53 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.53 -54.29 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.62 115.13 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 24.8 t30 39.73 48.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.951 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.479 ' CG ' ' N ' ' A' ' 24' ' ' GLU . 5.4 ttm -80.89 162.47 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 23' ' ' MET . 28.0 mt-10 -91.56 124.87 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -47.54 -59.12 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -47.42 -53.46 13.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -56.13 -34.04 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -64.98 -46.99 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -79.88 -15.26 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -91.98 -29.2 16.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' CD2' ' HE3' ' A' ' 23' ' ' MET . 1.8 pp -92.12 -31.02 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 35' ' ' HIS . 53.3 mt -77.38 -49.48 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -40.39 -38.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -78.03 -33.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' LEU . 15.2 m-70 -59.2 -176.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.14 -174.74 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -88.16 28.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.4 8.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 99.0 m -84.85 118.63 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CG ' HD21 ' A' ' 108' ' ' LEU . 13.8 p90 -119.81 166.68 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 HD13 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -168.2 161.0 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.9 mp -129.48 122.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.75 165.62 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -91.81 151.37 20.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 25.1 ttm-85 -109.88 137.53 20.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.749 . . . . 0.0 110.844 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 -176.83 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -95.13 -35.35 11.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.75 -70.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -66.77 88.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -100.32 23.68 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -158.14 146.16 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.64 145.23 24.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -110.07 127.22 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -119.52 118.41 30.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 HD11 ' N ' ' A' ' 56' ' ' ILE . 0.8 OUTLIER -133.96 136.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.119 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -83.29 125.27 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -161.69 145.63 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.3 t30 52.75 46.96 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 48.74 25.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -143.11 140.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.05 106.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' CE ' ' CD1' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -85.13 130.39 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -105.28 108.67 20.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.464 HG12 ' CE1' ' A' ' 101' ' ' PHE . 83.4 mt -89.29 152.66 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -116.57 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.95 155.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.4 m -139.6 156.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -131.4 108.3 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -138.43 150.07 46.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 52.36 32.58 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 64.87 31.74 11.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.477 ' CZ3' ' N ' ' A' ' 83' ' ' ASP . 38.8 m95 -129.96 174.61 9.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.5 mt -139.5 128.21 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.03 -175.62 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' CG2' ' A' ' 77' ' ' THR . 19.4 pt -141.87 137.5 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.519 ' CG2' ' O ' ' A' ' 76' ' ' ILE . 9.2 t 48.42 25.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 58.69 43.96 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.47 -75.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 5.8 tptp -134.76 138.39 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 112.37 24.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 41.5 m-85 -108.26 137.29 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.477 ' N ' ' CZ3' ' A' ' 73' ' ' TRP . 11.4 t70 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 82' ' ' PHE . 3.8 m -164.91 -175.82 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 86' ' ' LEU . 56.8 tp -61.49 -55.94 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' LEU . 66.4 tp -37.14 -51.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.06 -50.66 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -52.68 -36.47 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -51.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.22 -27.98 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 85.2 t80 -65.72 -53.43 41.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.563 ' CD1' HD23 ' A' ' 97' ' ' LEU . 42.8 m-85 -71.08 -26.44 63.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -48.01 -26.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.0 m -119.44 -30.36 4.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.38 131.46 45.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.448 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.0 OUTLIER -50.39 160.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD23 ' CD1' ' A' ' 92' ' ' TYR . 9.0 mt -101.59 17.36 23.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 5.8 ptpt -65.68 -44.66 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 8.8 mp0 -38.56 -52.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.51 ' OG ' ' CE1' ' A' ' 101' ' ' PHE . 9.8 t -74.49 -56.42 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' OG ' ' A' ' 100' ' ' SER . 46.7 m-85 -117.12 106.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -60.37 -14.96 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -95.83 0.81 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.436 ' CD1' ' CE ' ' A' ' 63' ' ' LYS . 5.8 tp -127.84 79.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -97.25 86.21 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -161.25 171.58 18.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 40.3 p -133.5 134.65 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 40' ' ' TYR . 17.2 mt -38.98 112.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -104.55 -74.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.75 148.36 39.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.653 0.739 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -87.21 -174.59 4.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.455 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 5.2 t -70.65 -173.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.57 -158.91 10.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.09 56.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.378 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.5 t -116.42 -48.87 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t -152.33 127.89 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.52 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.4 t 34.67 41.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.331 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -75.94 128.47 35.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 -154.18 19.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -141.54 123.44 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -152.94 121.96 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.75 75.09 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 p -163.81 168.61 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -98.12 41.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -94.35 141.62 28.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 12' ' ' ASP . 40.7 mt -78.51 145.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 11' ' ' ILE . 51.4 t0 -87.99 104.38 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -88.27 -33.89 17.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.564 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.2 p -60.83 -13.45 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.52 56.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.652 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 63.3 m-85 -74.86 148.13 84.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -29.11 24.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.652 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.6 p-90 -78.08 10.16 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 14' ' ' THR . 14.9 t80 -84.23 131.81 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 41' ' ' LEU . . . -119.93 -39.45 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 74.07 -143.89 32.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -63.54 76.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.492 ' SD ' ' NE2' ' A' ' 27' ' ' GLN . 2.3 tpp -100.83 150.7 22.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.476 ' HG3' ' CB ' ' A' ' 27' ' ' GLN . 9.5 pt-20 -96.43 128.71 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.61 ' N ' HH22 ' A' ' 43' ' ' ARG . 4.5 tmm_? -40.85 -46.35 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 27' ' ' GLN . 8.7 pt20 -52.84 -54.0 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' NE2' ' SD ' ' A' ' 23' ' ' MET . 8.6 tt0 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.428 ' CG2' HD21 ' A' ' 41' ' ' LEU . 4.2 m -60.03 -50.2 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -72.78 -35.42 67.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.8 -32.17 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pp -93.15 -36.45 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD13 ' CG2' ' A' ' 28' ' ' THR . 35.3 mt -71.48 -47.03 58.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 34' ' ' SER . 15.6 ptmt -41.41 -46.45 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 1.3 t -67.89 -40.32 83.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -53.67 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.45 -175.16 3.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.5 m -84.04 24.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.33 -7.68 2.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -73.49 128.38 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.566 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 12.4 p90 -134.39 163.06 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -160.21 166.49 29.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.561 HD11 ' CE3' ' A' ' 18' ' ' TRP . 2.3 mp -126.18 109.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.61 HH22 ' N ' ' A' ' 25' ' ' ARG . 5.8 ptm180 -99.65 166.73 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -117.76 141.7 48.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.5 OUTLIER -118.32 161.01 37.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.8 139.15 39.37 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.346 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' PRO . . . -34.94 -35.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' PRO . 32.9 tt0 -58.35 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -75.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.4 tp10 -152.7 152.0 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 52' ' ' PHE . 9.3 ttm180 -75.27 -43.91 48.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 29.1 m-85 -133.76 158.36 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.03 159.06 44.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 ' CD1' HD21 ' A' ' 88' ' ' LEU . 25.3 mt -134.83 124.07 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -117.61 127.32 53.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.9 mp -137.18 138.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -82.66 128.65 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD1' HD13 ' A' ' 104' ' ' LEU . 47.2 t80 -173.33 145.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 60.58 45.83 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 44.92 28.43 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -151.13 133.64 15.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 93.3 t -81.29 114.72 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 31.1 mmtm -88.82 150.7 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -137.47 117.16 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.29 149.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -103.88 103.57 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 69.8 t -78.07 95.04 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.74 153.66 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -133.14 104.8 6.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.2 149.98 50.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.8 m-20 52.98 38.63 27.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.602 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 3.8 t30 58.95 29.7 19.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 14.5 m95 -129.26 167.26 17.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.5 mt -132.63 127.6 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.4 170.7 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 78' ' ' GLU . 37.4 pt -138.69 147.0 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.5 t 39.61 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' ILE . 31.9 mt-10 46.22 48.94 12.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.51 -47.47 5.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -161.02 136.85 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -89.57 134.14 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.558 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.5 m-85 -123.47 140.71 52.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 24.2 t70 -36.34 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.2 m -174.73 -176.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.5 tp -59.12 -44.27 92.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.9 tp -50.25 -56.66 10.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.65 -51.96 61.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.558 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.7 tt -49.52 -42.57 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG11 ' CD1' ' A' ' 108' ' ' LEU . 57.9 t -69.34 -50.79 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.83 -26.76 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 77.6 t80 -66.59 -54.95 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.433 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.3 m-85 -70.93 -24.89 62.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.19 -24.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -123.02 -31.0 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.2 128.71 44.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -50.17 153.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.3 mt -91.88 20.05 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 38.3 pttt -71.13 -44.45 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -36.81 -53.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -76.43 -53.39 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -116.73 99.19 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -52.36 -26.55 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 5.3 pt20 -79.74 -23.01 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 58' ' ' PHE . 8.9 tp -104.22 103.39 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.45 94.94 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 t -171.53 169.29 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' LEU . 36.8 p -132.62 130.88 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 8.2 mt -34.36 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.5 mtmm -88.9 -75.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.81 152.85 49.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.697 0.761 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.9 -175.01 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.3 p -66.71 89.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.39 143.88 38.05 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 112.34 3.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.302 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -83.09 41.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.2 p -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.543 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -156.46 145.61 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -146.95 172.38 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.25 133.85 4.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -108.93 167.32 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -87.28 149.23 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.42 -40.94 2.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p 43.61 41.63 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -79.12 86.15 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -118.75 165.21 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -60.96 146.42 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -96.04 102.57 14.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -80.95 -28.52 35.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' CE1' ' A' ' 19' ' ' PHE . 47.2 p -70.23 -8.75 52.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.24 -25.67 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.678 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 62.2 m-85 -73.78 146.8 85.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.74 . . . . 0.0 111.015 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.678 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 16.7 p-90 -79.79 13.33 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.57 ' CE1' HG23 ' A' ' 14' ' ' THR . 11.3 t80 -96.49 128.65 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . . . -89.87 -62.16 1.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 93.56 108.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.3 m-80 34.09 42.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -80.06 150.25 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.506 ' N ' ' HG3' ' A' ' 23' ' ' MET . 51.2 mm-40 -86.64 142.42 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -54.89 -48.25 73.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -54.19 -60.57 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -47.73 -49.34 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.3 m -50.39 -53.59 28.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.81 -22.06 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -75.79 -37.36 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD2' ' HE1' ' A' ' 23' ' ' MET . 2.1 pp -91.3 -30.88 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.5 mt -72.72 -48.26 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -39.6 -41.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 m -75.67 -39.98 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 39' ' ' THR . 6.4 m-70 -48.62 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -175.99 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 m -88.15 36.45 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.23 14.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.564 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.8 m -85.41 115.49 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.567 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.3 p90 -116.14 162.92 16.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -171.4 170.93 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' ' 41' ' ' LEU . 3.3 mp -137.35 125.35 32.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' NH2' ' ND1' ' A' ' 64' ' ' HIS . 5.6 ptt-85 -134.77 172.21 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -103.71 101.96 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.12 132.49 79.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.386 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 49' ' ' ALA . . . 75.03 43.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 47' ' ' ALA . 14.7 pt-20 32.56 36.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 47' ' ' ALA . . . -106.46 -174.1 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 49' ' ' ALA . 7.1 mp0 -31.31 103.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -41.31 -38.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -110.93 149.8 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.98 123.37 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 18.2 mt -95.93 123.26 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -117.66 125.46 50.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.456 HG21 ' N ' ' A' ' 57' ' ' LYS . 4.1 mp -130.81 143.3 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.456 ' N ' HG21 ' A' ' 56' ' ' ILE . 12.9 tptm -98.62 101.58 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' CD2' ' HB ' ' A' ' 106' ' ' THR . 8.1 t80 -140.21 133.44 29.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 9.9 t30 74.27 31.03 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t0 60.25 31.33 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -150.18 128.25 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 94.9 t -80.26 112.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HG2' ' CD1' ' A' ' 104' ' ' LEU . 2.1 mptp? -95.77 129.62 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 96.7 m-70 -107.82 110.06 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.26 103.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.497 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -59.26 147.09 36.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.36 126.96 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.3 t -96.49 132.22 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.41 102.24 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.427 ' HD3' ' CG ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -141.43 141.89 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' CG ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 m-20 57.62 39.99 27.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.7 m-20 57.17 32.91 22.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.541 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.4 m95 -128.52 150.61 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.4 mt -127.24 129.77 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -166.87 -175.06 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' GLU . 39.4 pt -140.08 157.01 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.532 ' CG2' ' O ' ' A' ' 77' ' ' THR . 1.4 t 30.86 36.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 76' ' ' ILE . 44.0 mt-10 37.02 52.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.49 -34.92 11.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -174.33 124.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 133.54 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -122.89 145.91 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -41.26 -37.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -175.51 -175.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 38.3 tp -54.44 -44.33 72.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.1 tp -51.17 -55.27 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.29 -50.74 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.8 tt -57.17 -39.83 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.465 HG13 ' CD1' ' A' ' 108' ' ' LEU . 90.7 t -65.62 -51.09 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.68 -40.79 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.449 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 33.5 t80 -54.72 -51.99 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.462 ' CE1' HD22 ' A' ' 97' ' ' LEU . 24.1 m-85 -74.42 -31.02 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -48.87 -19.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.0 m -125.9 -33.0 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.449 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.7 m170 -97.98 130.37 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.423 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 12.5 t -56.42 157.2 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 HD22 ' CE1' ' A' ' 92' ' ' TYR . 12.6 mt -88.22 16.95 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 16.2 pttm -68.45 -42.07 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.8 mm-40 -43.46 -51.69 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -74.87 -49.26 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.53 100.07 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.64 -27.63 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.82 -27.06 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 1.5 tp -104.88 114.52 28.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -125.97 93.13 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.529 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 5.5 t -169.38 160.51 9.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 108' ' ' LEU . 25.1 p -127.33 132.95 50.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.567 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 21.1 mt -34.93 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -96.25 -74.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.18 146.19 34.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -79.66 -174.39 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -72.02 82.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.31 -169.12 15.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 0.42 5.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -47.33 145.71 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.789 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -109.65 36.07 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -64.72 94.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -130.69 104.91 7.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.55 129.5 4.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -65.73 152.86 43.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 p -111.49 91.42 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.78 49.09 57.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -127.69 124.67 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 10.8 mtp-105 -63.18 94.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.36 163.68 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -81.7 135.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -94.27 109.52 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.56 -20.82 62.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.569 HG21 ' CZ ' ' A' ' 19' ' ' PHE . 80.9 p -81.3 3.19 24.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.97 -22.69 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.41 149.26 61.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.967 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.51 26.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.691 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.5 p-90 -81.15 15.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CZ ' HG21 ' A' ' 14' ' ' THR . 10.9 t80 -94.76 124.4 38.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' HB1' ' CB ' ' A' ' 43' ' ' ARG . . . -85.42 -59.4 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 92.13 82.95 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 25.7 t30 43.87 44.64 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 40.2 ttp -71.39 157.84 37.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.13 124.69 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -41.11 -64.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -42.15 -56.79 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -51.47 -32.65 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.449 ' CG2' HD22 ' A' ' 41' ' ' LEU . 1.8 m -66.18 -49.72 66.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.91 -10.83 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -89.83 -41.13 12.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 3.3 pp -82.91 -34.12 26.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.9 mt -68.83 -56.44 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -38.86 -41.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -73.61 -35.33 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 32' ' ' LEU . 47.8 m-70 -60.72 -177.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 177.39 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 p -83.55 19.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.29 5.92 4.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.4 m -80.98 126.8 31.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.186 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 19.1 p90 -122.71 164.26 18.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 42' ' ' ILE . 2.0 pp -160.43 165.68 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 41' ' ' LEU . 3.1 mp -140.97 110.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' NH1' ' CB ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -116.76 169.61 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -109.44 107.79 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 1.2 ptm85 -82.13 137.54 46.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 103.18 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.596 2.197 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.67 160.94 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.23 -71.01 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.32 -48.51 46.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -112.54 137.17 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -119.31 -46.18 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -104.9 152.81 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' CB ' ' NH1' ' A' ' 43' ' ' ARG . . . -149.65 152.83 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.403 ' CD1' HD23 ' A' ' 88' ' ' LEU . 16.0 mt -116.7 138.26 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -131.16 122.98 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.4 mp -131.67 142.77 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -88.67 112.01 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -146.59 140.14 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 61.86 40.82 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.81 33.29 13.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.84 135.43 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.08 113.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' HG2' ' CD1' ' A' ' 104' ' ' LEU . 6.1 mptt -89.42 136.64 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -113.12 103.68 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.7 mt -91.44 154.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.22 146.82 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -114.59 139.24 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.37 158.33 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -134.41 102.45 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -132.46 149.61 52.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 51.45 37.6 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.0 m-80 59.81 37.83 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 18.4 m95 -130.92 174.86 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.28 123.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.15 -175.05 5.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.528 ' O ' ' N ' ' A' ' 78' ' ' GLU . 32.8 pt -135.93 147.69 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 76' ' ' ILE . 6.7 t 33.92 32.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.0 mt-10 47.58 48.19 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.807 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.17 -55.98 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.457 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 2.4 mmmp? -135.8 120.62 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -82.27 112.02 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CE2' ' HB3' ' A' ' 80' ' ' LYS . 83.9 m-85 -112.9 167.83 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.37 -29.82 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -145.48 174.85 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 19.6 tp -68.02 -44.32 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.53 -53.59 22.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.98 -45.5 31.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 92' ' ' TYR . 8.8 tt -60.59 -41.11 94.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.16 -55.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.11 -34.35 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.44 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 9.4 t80 -61.34 -53.05 61.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.566 ' CD2' HD22 ' A' ' 97' ' ' LEU . 22.7 m-85 -73.92 -22.22 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -54.38 -22.56 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.5 m -125.59 -29.57 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.44 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.3 m170 -99.02 130.04 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 17.5 t -48.72 132.13 17.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.566 HD22 ' CD2' ' A' ' 92' ' ' TYR . 3.6 mt -59.03 -10.87 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.7 ptmt -46.82 -31.07 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.02 -43.8 19.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -81.1 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 51.0 m-85 -107.65 158.3 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -93.25 -28.04 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -85.23 -1.71 57.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 63' ' ' LYS . 5.3 tp -114.67 106.86 14.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 85.92 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.3 t -165.82 160.77 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 26.8 p -126.37 130.44 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 21.2 mt -34.24 100.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.31 -73.31 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -116.36 150.93 46.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.732 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.83 -169.03 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.674 2.249 . . . . 0.0 112.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -97.64 149.54 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.428 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 t -35.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.526 ' HA2' ' CZ ' ' A' ' 112' ' ' TYR . . . 112.2 171.58 18.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 126.69 13.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.615 2.21 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -67.01 151.28 47.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m -61.47 93.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.536 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.414 HG21 HD22 ' A' ' 86' ' ' LEU . 27.9 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.773 0.32 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.79 102.51 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -75.05 -21.73 58.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.926 HG22 ' CE1' ' A' ' 19' ' ' PHE . 40.3 p -79.99 7.71 8.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -20.04 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.713 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.2 m-85 -84.46 152.12 60.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -28.28 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.713 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -80.49 14.03 2.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.926 ' CE1' HG22 ' A' ' 14' ' ' THR . 13.6 t80 -90.79 131.81 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -112.94 -44.99 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.21 -141.22 16.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.8 p30 -94.0 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.521 ' CE ' HD21 ' A' ' 31' ' ' LEU . 4.1 ptm -68.26 -178.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.58 119.86 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -39.82 -64.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -47.08 -41.99 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -61.89 -34.43 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.611 HG22 HD12 ' A' ' 32' ' ' LEU . 23.7 m -64.87 -51.22 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -71.64 -12.09 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.29 -38.7 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 23' ' ' MET . 2.6 pp -86.02 -37.3 19.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 41' ' ' LEU . 25.5 mt -67.97 -55.58 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -43.2 -41.95 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -70.47 -39.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.0 m-70 -53.57 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.93 -179.85 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -84.83 35.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.39 14.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.576 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -88.01 117.92 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' HB3' HG23 ' A' ' 56' ' ' ILE . 22.0 p90 -116.39 161.05 19.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 32' ' ' LEU . 1.2 pp -161.7 157.49 24.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.585 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -120.63 118.86 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 23' ' ' MET . 0.1 OUTLIER -115.5 164.36 14.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.926 0.393 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -160.61 150.43 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.29 164.39 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.481 HG22 HD11 ' A' ' 56' ' ' ILE . 21.0 mt -137.74 125.33 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -121.71 123.75 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -130.51 134.92 61.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -81.95 108.16 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 27.0 t80 -148.57 134.39 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 11.9 t30 69.21 45.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 43.81 32.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -149.82 125.39 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 29' ' ' ASP . 77.3 t -79.83 111.05 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -94.57 140.82 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -120.68 113.88 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.4 mt -99.52 150.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -105.61 143.19 34.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 76' ' ' ILE . 91.0 t -107.39 136.32 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.9 125.84 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.19 104.66 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -140.64 149.58 42.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 73' ' ' TRP . 29.0 m-20 55.35 38.63 30.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.594 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 8.6 m120 58.95 28.77 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.594 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 10.2 m95 -125.65 162.07 25.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 85' ' ' LEU . 6.0 mt -131.94 124.28 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -159.56 175.58 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 77' ' ' THR . 37.8 pt -127.33 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 47.19 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.64 50.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -107.2 -25.85 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.3 tmtp? -161.42 125.83 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 2.8 pptp? -83.84 148.41 27.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 38.5 m-85 -144.54 138.87 27.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.65 -35.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -174.37 172.9 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 42' ' ' ILE . 60.5 tp -46.14 -51.52 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 11' ' ' ILE . 31.3 tp -43.06 -53.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -50.53 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.1 tt -51.26 -38.27 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.0 t -71.35 -52.93 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.97 -26.59 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 61.3 t80 -68.45 -52.61 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.78 -27.45 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HG3' HD12 ' A' ' 108' ' ' LEU . 59.0 mt-30 -49.47 -23.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 70.2 m -121.1 -31.8 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -99.96 127.6 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t -52.14 155.02 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -86.64 12.79 9.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -64.96 -38.85 92.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.11 -47.7 34.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -82.3 -42.15 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -133.15 97.71 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -47.99 -51.37 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -50.1 -33.44 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.579 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.6 tp -99.8 117.67 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -129.91 94.4 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 14.7 t -167.27 169.17 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.8 p -134.41 133.36 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 93' ' ' GLN . 10.6 mt -37.79 103.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -94.76 -74.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.89 149.72 41.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 39' ' ' THR . 52.6 Cg_endo -69.9 -176.35 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.625 2.217 . . . . 0.0 112.31 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 113' ' ' SER . 2.5 p90 -80.05 -174.82 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 112' ' ' TYR . 29.4 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.428 HG21 HD22 ' A' ' 86' ' ' LEU . 72.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.876 0.37 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.703 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.0 t0 -104.25 95.38 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -78.3 -25.88 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.992 HG22 ' CE2' ' A' ' 19' ' ' PHE . 54.6 p -80.53 9.19 6.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -101.41 -22.22 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.698 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.9 m-85 -80.28 152.56 73.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.714 0.769 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -28.58 24.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.9 p-90 -79.35 12.06 2.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.992 ' CE2' HG22 ' A' ' 14' ' ' THR . 8.8 t80 -93.67 135.45 34.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.756 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -116.04 -47.72 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.24 -138.72 14.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.18 78.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.539 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -95.35 159.68 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 mt-10 -107.47 126.92 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' GLU . 13.0 mmm-85 -33.98 -47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -66.55 -49.74 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' HG3' HD23 ' A' ' 31' ' ' LEU . 9.1 tp60 -52.35 -49.74 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.506 HG23 HD21 ' A' ' 41' ' ' LEU . 10.6 m -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 62' ' ' VAL . 4.5 t0 -72.63 -12.59 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -88.95 -34.56 16.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.1 pp -91.71 -33.55 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -68.25 -51.32 46.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 34' ' ' SER . 11.0 pttp -36.89 -44.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.6 t -68.64 -39.82 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CD2' HG21 ' A' ' 39' ' ' THR . 12.6 m-70 -59.28 -179.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.58 -175.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.2 m -84.07 16.79 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.11 1.15 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 111' ' ' PRO . 53.0 m -79.53 124.18 28.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.669 ' CD2' HD22 ' A' ' 108' ' ' LEU . 14.5 p90 -126.27 158.41 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -163.37 162.1 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -124.94 117.86 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -125.51 155.19 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -114.16 175.85 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -149.9 129.79 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 56' ' ' ILE . 18.4 mt -95.6 122.68 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.46 124.82 46.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.827 HD11 HG22 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.04 140.82 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -84.2 126.48 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 80.2 t80 -168.62 138.74 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.5 45.35 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 45.31 33.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -151.3 137.65 18.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 29' ' ' ASP . 42.1 t -89.69 108.26 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.842 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.4 mptt -84.21 144.28 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.21 107.77 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 54' ' ' ILE . 5.3 mp -92.22 151.62 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -111.87 121.96 46.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.977 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' HG23 ' A' ' 74' ' ' ILE . 60.3 t -88.44 112.93 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.63 130.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.02 104.52 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -133.68 149.96 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.3 m-20 48.8 45.82 21.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 29.0 t30 53.12 32.89 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.4 m95 -130.64 162.1 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.413 HG21 ' HA ' ' A' ' 85' ' ' LEU . 8.8 mt -129.56 126.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -156.33 -175.15 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' OH ' ' A' ' 92' ' ' TYR . 33.3 pt -143.26 145.33 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.4 t 44.22 25.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 43.22 43.86 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -94.24 -36.51 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -160.91 139.81 10.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -90.51 139.18 30.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -130.54 140.41 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.84 -27.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -175.21 -177.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 74' ' ' ILE . 18.2 tp -62.68 -47.96 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 11' ' ' ILE . 27.2 tp -45.73 -54.81 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.79 -51.02 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.9 tt -50.24 -42.56 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 108' ' ' LEU . 50.2 t -67.66 -46.85 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -61.38 -24.12 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.452 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 18.2 t80 -71.75 -49.46 38.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.628 ' OH ' HD11 ' A' ' 76' ' ' ILE . 25.9 m-85 -75.44 -20.99 58.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.545 ' HG3' HD12 ' A' ' 108' ' ' LEU . 20.2 mt-30 -56.17 -23.78 37.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.0 m -122.96 -28.58 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -102.1 133.81 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -60.18 153.59 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 104' ' ' LEU . 7.8 mt -81.21 -11.96 59.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -44.18 -38.49 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -48.15 -49.4 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 m -81.74 -45.13 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.76 96.51 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -47.18 -37.34 9.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.01 -30.54 71.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.6 tp -100.9 105.56 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.64 90.42 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.7 t -164.53 160.93 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.424 HG22 ' C ' ' A' ' 95' ' ' HIS . 24.6 p -125.59 136.23 53.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.669 HD22 ' CD2' ' A' ' 40' ' ' TYR . 19.3 mt -42.23 96.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' THR . 71.0 mttt -87.71 -73.47 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -116.05 150.26 44.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 Cg_endo -69.79 -165.21 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -90.6 -176.32 4.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' TYR . 24.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.6 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.891 0.377 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.8 t0 -98.65 88.44 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.8 m-85 -72.96 -19.18 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.775 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.8 p -80.89 6.57 12.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.83 -19.58 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.28 150.71 64.73 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.14 27.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.702 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.3 p-90 -83.35 15.32 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.775 ' CE1' HG22 ' A' ' 14' ' ' THR . 6.5 t80 -92.9 131.55 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -106.29 -56.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.31 -133.18 11.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -74.22 61.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -83.19 159.03 22.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.6 mm-40 -105.47 127.69 53.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLU . 1.9 mpp_? -35.65 -43.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.42 -49.83 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -51.19 -46.75 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.98 HG23 HD21 ' A' ' 41' ' ' LEU . 28.7 m -60.57 -48.11 83.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.37 -10.85 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.62 -30.98 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.13 -40.1 10.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.6 mt -64.42 -49.04 73.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -41.01 -30.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 t -84.76 -35.16 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CG ' HG21 ' A' ' 39' ' ' THR . 20.4 m-70 -58.35 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.41 -174.87 4.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -85.95 26.25 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.44 7.48 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 111' ' ' PRO . 91.9 m -85.57 120.24 26.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB3' HG23 ' A' ' 56' ' ' ILE . 26.4 p90 -119.69 157.66 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.98 HD21 HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -159.32 158.5 32.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 mp -126.15 122.07 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -113.83 174.67 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' ARG . 13.5 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.656 ' NE ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' ' NE ' ' A' ' 51' ' ' ARG . 20.1 m-85 -110.87 152.93 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.48 148.22 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.024 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 mt -116.43 143.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -139.06 130.38 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.9 OUTLIER -136.31 144.9 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HZ1' ' CA ' ' A' ' 60' ' ' ASP . 11.9 tptp -86.6 119.13 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 11.6 t80 -167.77 146.14 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.7 t-20 69.57 40.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CA ' ' HZ1' ' A' ' 57' ' ' LYS . 25.5 m-20 49.33 26.38 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -150.7 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.21 110.72 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 35.4 mmtt -88.26 151.82 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -131.85 104.14 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.78 140.58 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -105.62 122.21 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 68' ' ' VAL . 28.9 t -82.13 161.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.542 ' N ' HG12 ' A' ' 67' ' ' VAL . 24.9 t -136.41 131.38 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.31 103.67 11.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -141.51 149.62 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.6 t70 57.26 33.59 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 39.6 m-20 60.96 37.18 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 37.5 m95 -142.36 172.53 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.464 HG23 ' CG1' ' A' ' 67' ' ' VAL . 5.3 mt -133.39 136.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.481 ' HA ' HD12 ' A' ' 88' ' ' LEU . 28.0 p80 -168.7 -174.99 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 77' ' ' THR . 41.3 pt -137.94 143.25 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 44.47 25.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 48.01 44.42 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -89.07 -33.13 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -169.68 124.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 123.75 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -113.6 158.21 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.434 ' HB3' ' CD ' ' A' ' 87' ' ' GLU . 14.1 t0 -59.73 -29.75 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -172.74 -176.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 HG21 ' A' ' 42' ' ' ILE . 19.9 tp -60.5 -50.92 71.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -44.2 -54.17 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 83' ' ' ASP . 23.5 mt-10 -54.66 -47.17 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -58.68 -40.09 82.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 ' CD1' ' A' ' 108' ' ' LEU . 47.4 t -68.92 -53.48 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.47 -27.87 62.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 83.3 t80 -67.0 -52.87 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -71.05 -28.48 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.694 ' HG3' HD12 ' A' ' 108' ' ' LEU . 58.6 mt-30 -46.55 -25.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.2 m -119.7 -30.85 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.52 127.05 45.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.6 t -53.06 155.31 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.88 9.73 15.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -63.49 -36.9 85.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -49.35 -47.26 47.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 t -79.7 -52.52 7.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -119.12 108.03 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -56.62 -21.2 25.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -86.26 -21.19 27.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp -105.25 108.44 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.76 94.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -172.96 164.35 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 95' ' ' HIS . 31.8 p -130.04 141.64 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.5 mt -46.36 97.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -85.74 -70.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.26 152.37 50.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.73 0.776 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -99.68 -175.04 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 2.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 36.5 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.538 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 49.3 t0 -78.12 83.95 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.7 m-85 -67.52 -19.48 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.947 HG22 ' CE2' ' A' ' 19' ' ' PHE . 44.2 p -83.21 6.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.47 -20.01 18.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.0 m-85 -79.76 151.26 73.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -27.92 25.82 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.9 p-90 -80.37 13.18 2.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.947 ' CE2' HG22 ' A' ' 14' ' ' THR . 5.1 t80 -99.01 123.43 43.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.39 -37.38 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.69 -143.81 16.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -79.91 56.12 2.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.331 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.486 ' HE3' HG23 ' A' ' 28' ' ' THR . 28.9 ttp -83.06 155.39 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ARG . 26.7 mt-10 -95.84 137.16 35.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 17.4 ttp180 -34.99 -64.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -45.56 -55.28 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -49.65 -30.06 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.58 HG23 HD21 ' A' ' 41' ' ' LEU . 7.0 m -76.06 -46.91 26.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.614 ' HA ' HG11 ' A' ' 62' ' ' VAL . 6.7 t0 -66.47 -26.96 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 30.7 m-20 -74.13 -35.1 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 35' ' ' HIS . 1.2 pp -92.33 -23.58 19.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 HG22 ' A' ' 28' ' ' THR . 13.7 mt -85.13 -49.03 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 11.8 ptmm? -37.74 -46.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -70.99 -40.67 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.8 m-70 -52.34 174.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.37 -177.62 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 m -85.68 23.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.78 -3.32 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.564 HG21 ' CD2' ' A' ' 35' ' ' HIS . 81.9 m -72.2 116.46 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 111.13 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CB ' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -117.09 162.17 18.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -170.73 167.0 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.755 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.9 mp -130.54 117.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -124.79 157.0 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 20.3 ttm105 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -108.03 147.87 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.471 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . . . -139.9 152.18 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 56' ' ' ILE . 20.6 mt -121.5 126.77 75.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.421 ' CB ' HG21 ' A' ' 28' ' ' THR . 2.0 m -122.45 111.45 16.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' CB ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -122.03 131.16 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HE2' ' N ' ' A' ' 61' ' ' GLU . 16.2 tptm -80.28 120.32 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 78.9 t80 -153.51 145.36 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 9.7 t-20 56.77 39.89 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.43 27.66 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' HE2' ' A' ' 57' ' ' LYS . 52.4 mt-10 -147.55 131.61 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -87.18 115.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD13 ' A' ' 104' ' ' LEU . 3.3 mptp? -88.04 147.16 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 72.9 m-70 -122.46 103.48 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mt -101.21 148.81 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.89 147.7 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' A' ' 76' ' ' ILE . 59.0 t -107.93 119.3 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -84.67 111.41 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' A' ' 74' ' ' ILE . 2.7 tt0 -108.24 102.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -147.96 149.75 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 87.6 m-20 57.2 42.33 25.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 54.14 31.06 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 29.6 m95 -127.38 154.77 44.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CG1' ' HG3' ' A' ' 69' ' ' GLU . 10.0 mt -131.43 124.49 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -162.61 179.37 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 77' ' ' THR . 38.1 pt -136.84 146.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.2 t 44.38 25.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 44.78 48.95 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -96.09 -46.16 6.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -154.67 134.44 12.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 138.34 31.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -127.61 151.35 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.8 -23.73 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.0 m -172.3 178.75 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -62.43 -51.0 69.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.4 tp -41.65 -50.13 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.22 -46.39 82.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.3 tt -57.21 -53.08 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 23.4 t -57.14 -49.35 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.19 -24.07 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.435 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 22.8 t80 -69.42 -53.55 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 76' ' ' ILE . 22.1 m-85 -72.68 -25.64 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' CG ' HD12 ' A' ' 108' ' ' LEU . 10.5 mt-30 -49.62 -24.28 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.6 -32.27 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.02 130.2 44.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.4 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.2 t -54.24 159.64 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 104' ' ' LEU . 7.0 mt -92.72 6.45 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -60.59 -31.88 71.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.12 -50.03 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.49 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.4 t -82.2 -46.58 13.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 46.1 m-85 -125.61 100.16 6.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -51.88 -28.49 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -73.91 -25.98 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 HD13 ' A' ' 97' ' ' LEU . 3.4 tp -106.07 92.2 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.27 80.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.2 t -154.3 173.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' LEU . 74.4 p -135.02 131.19 36.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -98.05 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.92 148.49 40.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 39' ' ' THR . 53.8 Cg_endo -69.73 -175.95 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -82.83 -177.1 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.727 HG21 HD22 ' A' ' 86' ' ' LEU . 71.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.89 97.3 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -79.15 -21.8 45.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.945 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 79.2 p -77.82 2.76 16.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.58 -28.47 19.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.658 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 65.6 m-85 -75.83 149.11 82.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -26.69 27.49 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.6 p-90 -82.15 14.5 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.945 ' CZ ' HG22 ' A' ' 14' ' ' THR . 14.0 t80 -90.34 129.33 36.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.79 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.74 -59.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 81.9 109.0 0.39 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 3.9 p-10 33.7 54.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.5 tpp -76.9 151.37 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.7 mm-40 -82.72 117.06 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -40.92 -28.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -82.5 -48.26 11.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.684 ' O ' HD23 ' A' ' 31' ' ' LEU . 5.3 tm0? -64.39 -19.11 65.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.721 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.6 m -79.83 -44.99 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 t0 -80.14 -11.3 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -88.92 -35.32 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 27' ' ' GLN . 1.7 pp -89.77 -37.02 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD11 HD23 ' A' ' 41' ' ' LEU . 23.5 mt -65.92 -41.75 90.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.2 -24.97 12.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -84.91 -29.68 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -68.07 -178.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.29 -174.96 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 p -86.04 29.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.34 13.25 2.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 111' ' ' PRO . 17.6 m -90.79 122.84 33.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.607 ' CD2' HD13 ' A' ' 108' ' ' LEU . 22.4 p90 -120.18 165.37 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -164.38 158.66 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -127.97 117.76 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -116.6 174.86 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 15.0 mmt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 36.6 m-85 -164.23 147.45 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.8 141.12 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.622 HG22 HD11 ' A' ' 56' ' ' ILE . 20.8 mt -111.11 122.22 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 124.46 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -134.54 143.81 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -88.19 116.56 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -155.12 130.71 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.34 40.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 50.19 33.5 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -149.39 133.01 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 29' ' ' ASP . 59.7 t -86.79 106.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -89.16 130.26 35.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.34 114.39 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.09 107.09 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -71.2 112.48 7.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 76' ' ' ILE . 77.5 t -76.58 110.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG12 ' NE2' ' A' ' 75' ' ' HIS . 66.9 t -80.18 138.07 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.51 102.84 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -130.73 149.92 52.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.4 m-20 58.13 33.52 23.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.55 27.62 16.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 30.7 m95 -129.03 166.8 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -113.14 140.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.522 ' NE2' HG12 ' A' ' 68' ' ' VAL . 5.3 p80 -167.1 168.03 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 77' ' ' THR . 24.8 pt -140.39 144.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 76' ' ' ILE . 12.6 t 46.51 25.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 41.99 45.31 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 77' ' ' THR . . . -116.12 -36.59 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.1 134.16 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.33 162.73 17.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.67 162.73 33.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -51.76 -31.88 28.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.714 ' HA ' HD13 ' A' ' 74' ' ' ILE . 26.5 p -163.49 -178.77 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 tp -73.06 -24.99 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.727 HD22 HG21 ' A' ' 11' ' ' ILE . 37.4 tp -68.93 -51.61 38.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -35.25 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 ' HE2' ' A' ' 92' ' ' TYR . 6.6 tt -60.6 -41.3 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.4 t -70.8 -41.94 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.35 -26.88 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 28.0 t80 -74.2 -39.92 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.446 ' HE2' HD21 ' A' ' 88' ' ' LEU . 25.1 m-85 -81.19 -24.68 37.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -56.32 -22.24 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.16 -28.37 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -106.37 148.03 28.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -72.65 149.68 43.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.09 0.41 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.14 -32.91 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -45.88 -42.76 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 m -92.63 -54.9 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -110.14 99.57 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.09 14.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -85.23 -18.22 34.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.1 tp -112.01 109.56 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.69 89.02 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 t -152.11 158.03 42.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 109' ' ' LYS . 26.6 p -128.74 131.5 47.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.678 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -46.54 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' THR . 10.2 mtmm -83.73 -69.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -115.92 148.32 41.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.71 -168.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -95.52 -174.83 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.7 HG21 HD22 ' A' ' 86' ' ' LEU . 86.8 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -85.23 104.29 14.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -82.77 -27.27 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.826 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 82.4 p -75.58 5.43 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.51 -25.8 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.058 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 71.1 m-85 -78.25 150.48 77.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.97 26.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.597 2.198 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.9 p-90 -81.95 13.27 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.826 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.6 t80 -86.19 124.39 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 1.014 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -88.07 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 83.51 106.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.4 p-10 33.74 55.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.51 ' CE ' HD21 ' A' ' 31' ' ' LEU . 3.3 tpp -83.81 152.47 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 23' ' ' MET . 5.8 mm-40 -96.75 123.92 40.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLU . 37.6 mtm180 -35.23 -68.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -44.63 -59.67 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -48.69 -32.19 8.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.521 HG23 HD21 ' A' ' 41' ' ' LEU . 3.1 m -73.29 -43.46 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.52 -11.73 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -88.88 -34.66 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.2 pp -90.87 -34.15 15.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 HD12 HG22 ' A' ' 28' ' ' THR . 19.4 mt -71.21 -43.05 68.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -46.26 -33.39 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -82.67 -26.59 31.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.6 m-70 -65.86 179.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.85 -176.16 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -87.62 31.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.7 8.22 1.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 111' ' ' PRO . 36.7 m -86.58 124.59 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 108' ' ' LEU . 20.6 p90 -125.43 165.92 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.014 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -163.19 161.53 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.4 mp -126.42 111.63 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 4.2 ptm180 -105.12 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.4 tpp180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 37.2 m-85 -162.39 148.69 13.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -148.73 161.23 42.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.673 HG22 HD11 ' A' ' 56' ' ' ILE . 10.9 mt -135.45 132.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -123.6 125.55 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.673 HD11 HG22 ' A' ' 54' ' ' ILE . 3.2 mp -134.05 134.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -84.27 112.57 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 56.2 t80 -150.15 141.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 57.72 52.78 7.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 42.47 34.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -152.64 134.56 14.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.61 104.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -83.77 136.97 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -115.01 129.02 56.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.59 143.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 1.1 mtmp? -103.16 103.05 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.649 ' HA ' HG22 ' A' ' 76' ' ' ILE . 47.9 t -70.84 98.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' NE2' ' A' ' 75' ' ' HIS . 79.5 t -75.84 137.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.15 103.2 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 71' ' ' ASP . 15.8 ttmm -128.21 149.97 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 12.2 t70 56.89 34.76 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 92.3 m-20 60.89 32.75 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 28.7 m95 -137.27 151.73 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -97.1 141.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.567 ' NE2' HG12 ' A' ' 68' ' ' VAL . 4.8 p80 -169.26 165.1 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 67' ' ' VAL . 45.1 pt -139.38 145.59 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.541 HG21 ' OG ' ' A' ' 100' ' ' SER . 13.3 t 42.69 25.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 40.73 48.44 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -115.3 -48.75 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -144.46 107.9 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -89.13 159.03 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 48.9 m-85 -136.19 159.53 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.18 -36.81 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' ILE . 1.9 m -157.78 173.72 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.3 tp -63.83 -37.15 86.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 HG21 ' A' ' 11' ' ' ILE . 25.3 tp -54.09 -54.37 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -57.75 -50.97 71.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -46.14 -33.1 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 108' ' ' LEU . 67.1 t -79.67 -49.62 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.6 -25.12 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.499 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 68.0 t80 -70.59 -50.79 33.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE1' HD23 ' A' ' 97' ' ' LEU . 26.6 m-85 -73.94 -21.29 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.91 -23.09 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.22 -25.25 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -106.29 132.99 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 107' ' ' THR . 41.7 t -53.78 156.85 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 104' ' ' LEU . 6.0 mt -88.25 3.52 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 99' ' ' GLU . 15.9 pttp -58.88 -39.83 82.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' LYS . 19.5 mt-10 -36.26 -47.53 0.59 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 77' ' ' THR . 29.8 t -98.04 -46.11 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.456 ' CB ' ' HB3' ' A' ' 104' ' ' LEU . 79.5 m-85 -114.26 83.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -44.09 -60.21 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.54 -32.25 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 97' ' ' LEU . 3.2 tp -95.33 90.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 17.5 t70 -105.14 97.44 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 5.3 t -167.45 153.49 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 96' ' ' SER . 70.7 p -120.84 141.45 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 40' ' ' TYR . 8.8 mt -53.21 99.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -91.97 -72.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -112.9 149.67 41.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.751 0.786 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 53.0 Cg_endo -69.74 -166.42 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 0.0 112.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.9 -178.6 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' CB ' ' A' ' 86' ' ' LEU . 89.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.08 91.37 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 7.8 m-85 -70.0 -36.7 75.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.879 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 69.4 p -66.74 -3.68 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.7 -21.66 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.695 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 88.0 m-85 -87.02 150.47 49.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -29.47 24.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CE3' HD13 ' A' ' 42' ' ' ILE . 10.9 p-90 -79.01 11.98 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.879 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.5 t80 -83.43 134.26 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -125.54 -16.09 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 34.44 -138.39 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -61.46 76.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.556 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.0 tpp -100.12 150.87 22.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.1 mt-10 -79.93 128.74 33.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.11 -22.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -85.77 -41.38 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -47.19 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.905 HG23 HD21 ' A' ' 41' ' ' LEU . 33.5 m -52.91 -53.03 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.2 t70 -74.28 -30.12 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -69.19 -32.88 72.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 23' ' ' MET . 4.0 pp -93.2 -42.57 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 28' ' ' THR . 24.2 mt -61.87 -49.66 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -41.85 -41.48 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -74.94 -41.65 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.762 ' CD2' HG21 ' A' ' 39' ' ' THR . 5.5 m-70 -54.4 179.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.0 -175.97 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 m -83.41 19.93 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.92 -4.46 5.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 111' ' ' PRO . 55.2 m -76.76 124.53 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.629 ' CD2' HD13 ' A' ' 108' ' ' LEU . 23.5 p90 -125.16 171.92 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.905 HD21 HG23 ' A' ' 28' ' ' THR . 1.4 pp -171.49 157.98 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.6 mp -119.89 112.86 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.98 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 13.6 m-85 -159.06 146.12 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.16 149.83 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 56' ' ' ILE . 18.3 mt -120.15 126.69 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 64' ' ' HIS . 30.9 m -117.16 116.49 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.779 HD11 HG22 ' A' ' 54' ' ' ILE . 1.3 mp -129.48 138.47 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -80.66 124.91 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 106' ' ' THR . 27.2 t80 -159.16 142.94 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.8 31.72 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.03 30.02 19.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -144.12 131.04 20.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 32' ' ' LEU . 46.3 t -81.81 109.35 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -89.97 157.54 17.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' CE1' ' OG ' ' A' ' 55' ' ' SER . 76.4 m-70 -139.83 113.09 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -99.67 151.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -106.52 103.34 12.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' HG22 ' A' ' 76' ' ' ILE . 85.9 t -72.04 94.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG12 ' NE2' ' A' ' 75' ' ' HIS . 70.8 t -63.51 139.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -133.29 106.86 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -137.18 147.54 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.88 25.76 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 69.36 34.1 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 24.9 m95 -136.64 148.17 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.3 mp -100.87 144.98 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 68' ' ' VAL . 7.9 p80 -172.83 172.71 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLU . 45.5 pt -143.46 153.63 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 32.02 35.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.5 mt-10 34.66 50.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -110.88 -51.54 2.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -141.18 131.31 24.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -100.34 160.81 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.404 ' HZ ' ' CD2' ' A' ' 91' ' ' TYR . 52.6 m-85 -144.73 158.93 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.71 -27.49 40.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.512 ' HA ' HD13 ' A' ' 74' ' ' ILE . 2.2 m -174.97 -175.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 42' ' ' ILE . 46.0 tp -63.21 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.667 ' CB ' HD13 ' A' ' 11' ' ' ILE . 62.3 tp -46.79 -55.9 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.53 -52.49 59.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 88' ' ' LEU . 3.7 tt -47.57 -42.78 24.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -69.33 -58.11 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.24 -26.9 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.432 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 20.5 t80 -69.87 -48.12 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.47 -18.68 56.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.16 -21.77 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.4 t -125.36 -26.2 3.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.467 ' C ' HG22 ' A' ' 107' ' ' THR . 1.2 m170 -104.67 131.39 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -56.22 152.9 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.16 10.45 8.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -65.42 -32.98 74.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -48.88 -48.29 42.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.3 m -84.74 -51.46 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -117.66 100.15 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -55.31 -21.8 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.99 -23.54 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.86 101.88 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.23 94.02 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 58' ' ' PHE . 13.8 t -166.54 166.92 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 95' ' ' HIS . 32.6 p -132.97 131.52 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 40' ' ' TYR . 13.4 mt -40.8 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.02 -74.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.18 149.84 41.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.61 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.396 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -90.49 177.06 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.728 HG21 HD22 ' A' ' 86' ' ' LEU . 43.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -95.74 104.05 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.54 -32.37 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.777 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 54.0 p -68.98 -1.2 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 -25.7 24.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 m-85 -80.32 150.37 70.7 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.653 0.739 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.83 21.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.609 2.206 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.639 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.5 p-90 -75.64 6.33 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.777 ' CZ ' HG22 ' A' ' 14' ' ' THR . 25.4 t80 -78.63 130.23 35.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -92.71 -62.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 79.49 101.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' GLY . 16.6 t-20 34.29 52.99 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.72 ' HE3' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -84.91 151.5 24.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 25.4 mt-10 -88.18 119.79 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLU . 45.9 ttp180 -37.58 -58.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 18.4 tp60 -47.46 -41.28 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.685 ' O ' HD23 ' A' ' 31' ' ' LEU . 16.3 mt-30 -72.17 -29.28 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.723 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.8 m -76.62 -38.22 55.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.685 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.7 t0 -83.57 -18.53 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 27.6 m-20 -80.84 -31.64 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD21 ' HE3' ' A' ' 23' ' ' MET . 3.9 pp -92.77 -39.04 11.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' HIS . 19.2 mt -64.8 -52.23 57.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 16.5 pttp -41.0 -38.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -80.93 -29.17 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.5 m-70 -61.33 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -89.94 24.91 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.01 1.49 2.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 HG22 ' CD2' ' A' ' 32' ' ' LEU . 45.8 m -73.4 117.46 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -120.18 167.14 12.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 20' ' ' ALA . 2.0 pp -170.62 164.27 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.7 mp -132.96 110.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.206 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 27.7 ptt85 -102.95 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.812 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -121.93 174.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.23 144.85 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 56' ' ' ILE . 13.7 mt -118.34 132.92 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -130.2 134.57 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.759 HD11 HG22 ' A' ' 54' ' ' ILE . 3.1 mp -140.28 138.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 33' ' ' LYS . 42.5 tptt -86.22 104.63 15.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 68.3 t80 -150.76 135.77 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.91 41.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 45.6 35.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 21.6 mt-10 -154.66 131.34 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.685 HG21 ' HA ' ' A' ' 29' ' ' ASP . 55.1 t -82.5 111.72 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.666 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.2 mptt -89.46 129.89 35.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.07 113.87 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.74 148.59 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.18 151.07 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.86 102.2 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.85 136.9 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -130.72 104.52 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -144.38 148.77 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 73' ' ' TRP . 20.2 m-20 55.14 25.93 7.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 71.9 26.35 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 9.5 m95 -117.27 164.22 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -142.34 115.54 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.9 -179.39 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 77' ' ' THR . 13.5 pt -137.83 139.76 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 44.67 25.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 51.28 46.16 26.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.01 -46.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -157.54 137.37 12.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 168.44 9.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 51.9 m-85 -147.39 169.99 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.93 -33.03 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -162.42 170.55 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.812 HD22 ' CD2' ' A' ' 52' ' ' PHE . 31.2 tp -58.32 -25.65 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 11' ' ' ILE . 57.2 tp -70.1 -47.58 61.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.24 -44.84 88.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.0 tt -58.46 -37.79 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 85' ' ' LEU . 63.7 t -72.35 -49.76 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.88 -28.45 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 46.8 t80 -67.14 -51.45 53.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -74.07 -23.22 59.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.715 ' HG3' HD12 ' A' ' 108' ' ' LEU . 11.5 mt-30 -52.02 -23.67 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -123.01 -31.48 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.502 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.28 127.43 44.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.467 ' HA ' HG23 ' A' ' 107' ' ' THR . 33.8 t -51.01 141.22 14.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.53 -6.82 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -47.29 -34.63 6.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -43.21 -53.89 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.458 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.3 t -78.45 -49.48 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.458 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 26.2 m-85 -123.77 97.14 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.99 -34.49 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -64.23 -31.66 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.666 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.1 tp -97.45 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -122.7 94.91 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 6.6 t -168.77 152.32 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -123.88 130.78 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.0 mt -34.41 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -97.67 -74.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -115.44 148.91 41.93 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.611 0.719 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.66 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -175.42 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 36.1 t0 -89.42 105.51 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 85' ' ' LEU . 7.6 m-85 -84.32 -20.95 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.695 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 18.7 p -77.11 1.45 18.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.82 -19.94 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.668 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 80.7 m-85 -84.21 149.15 54.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -29.44 24.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.668 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.8 p-90 -78.02 9.08 3.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.695 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.0 OUTLIER -100.29 128.07 46.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.88 -34.9 6.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 -136.42 13.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -74.16 68.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 1.9 tpp -91.69 151.81 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 23' ' ' MET . 36.8 mt-10 -89.51 146.0 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.18 -20.88 57.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.45 -52.19 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' HD23 ' A' ' 31' ' ' LEU . 14.8 tt0 -57.17 -24.83 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.793 HG23 HD21 ' A' ' 41' ' ' LEU . 2.9 m -82.2 -38.19 24.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -80.75 -11.73 59.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -94.66 -30.48 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -89.99 -38.76 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.5 mt -64.15 -50.61 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.81 -24.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . 32.2 t -84.55 -37.19 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 39' ' ' THR . 13.2 m-70 -61.67 -176.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -176.36 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 m -84.93 31.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.53 6.12 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.4 m -84.06 133.21 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -133.48 169.09 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.793 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -171.01 159.06 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.529 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -123.73 109.8 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -106.46 170.11 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 9.1 ptt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 51' ' ' ARG . 14.5 m-85 -158.88 138.23 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.07 152.34 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.903 HG22 HD11 ' A' ' 56' ' ' ILE . 28.4 mt -119.89 132.97 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -119.39 124.03 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.903 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.1 137.31 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -84.08 125.63 32.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 58.4 t80 -156.89 145.5 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.517 ' OD1' ' CE2' ' A' ' 58' ' ' PHE . 5.3 m120 45.93 54.61 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 43.57 30.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -142.22 143.59 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.6 t -102.9 106.3 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.876 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -83.24 158.32 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -132.46 110.77 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.4 mt -105.73 156.6 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.935 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -115.49 152.85 32.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 74' ' ' ILE . 3.5 t -128.83 90.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.77 162.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.38 103.56 7.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -129.65 149.75 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.568 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.9 m-20 49.03 44.83 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.1 t-20 54.61 29.04 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.7 m95 -130.32 174.75 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 84' ' ' SER . 4.0 mt -136.55 124.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -139.23 171.05 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.935 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.0 pt -131.6 131.71 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 45.07 38.79 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 46.16 35.91 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.25 -72.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -125.92 131.42 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -95.53 162.67 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ILE . 37.7 m-85 -152.53 170.49 20.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -35.9 64.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.729 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.6 m -156.4 -179.43 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.7 tp -71.02 -43.06 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.23 -46.23 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -52.74 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.2 tt -48.83 -31.9 7.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 108' ' ' LEU . 65.1 t -78.08 -46.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.72 -25.25 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 6.4 t80 -73.61 -48.65 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 76' ' ' ILE . 19.4 m-85 -76.21 -18.32 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.32 -24.94 63.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.37 -24.06 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.9 m170 -103.92 132.11 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 107' ' ' THR . 6.0 t -56.78 148.32 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.2 6.67 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.82 -32.06 73.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -44.24 -39.13 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -101.94 -42.2 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -120.68 86.36 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -41.86 -51.3 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -50.95 -34.37 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.876 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.2 tp -97.01 111.96 23.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.66 82.39 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.56 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.2 t -151.41 161.06 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 96' ' ' SER . 72.9 p -128.66 140.71 51.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.612 ' CD1' HG13 ' A' ' 89' ' ' VAL . 13.4 mt -52.01 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -94.16 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -117.43 150.28 46.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 39' ' ' THR . 54.4 Cg_endo -69.8 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -102.89 -175.02 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 86' ' ' LEU . 78.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.71 90.87 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -69.08 -30.4 68.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 14.2 p -69.53 -1.13 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.78 -24.0 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 73.5 m-85 -81.09 148.63 64.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.7 0.762 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.13 25.82 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.7 p-90 -79.23 11.16 3.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.9 t80 -97.75 130.19 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -113.54 -37.98 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.0 -137.82 21.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -71.37 68.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 6.3 ttm -99.94 157.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' MET . 34.8 mt-10 -101.16 144.41 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLN . 37.5 mtm180 -51.58 -56.3 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . 43.9 tt0 -37.93 -60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -59.53 -38.75 81.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.807 HG23 HD21 ' A' ' 41' ' ' LEU . 3.4 m -57.74 -47.51 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.766 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.9 t0 -77.57 -27.5 51.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.49 -31.03 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.08 -31.7 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' HIS . 25.5 mt -75.7 -51.06 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -38.21 -42.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -71.3 -37.03 71.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.7 m-70 -61.56 -179.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.4 -175.24 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.4 p -83.94 18.43 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.17 -1.6 6.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -76.16 126.14 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.675 ' HB3' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -126.61 166.15 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -165.62 158.78 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -122.23 109.93 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 5.5 ptm180 -106.89 172.01 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -149.48 146.34 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -151.62 140.32 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 56' ' ' ILE . 33.5 mt -113.82 122.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 64' ' ' HIS . 28.4 t -118.61 126.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -135.81 143.08 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -80.55 111.29 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 58.0 t80 -151.99 140.01 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 72.78 34.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 56.71 25.81 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -151.24 149.6 29.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 ' HA ' ' A' ' 29' ' ' ASP . 54.2 t -81.21 117.78 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 3.8 mmmt -107.92 153.99 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 56.8 m-70 -132.09 150.31 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.9 110.88 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 146.04 54.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -118.62 138.0 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.2 140.21 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -130.58 102.59 6.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -145.06 150.09 36.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 73' ' ' TRP . 14.0 m-20 57.06 29.47 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.3 t30 65.53 32.19 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 24.9 m95 -128.92 153.81 47.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 85' ' ' LEU . 4.7 mt -125.88 124.54 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -154.51 179.03 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 78' ' ' GLU . 6.8 pt -138.8 152.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' THR . 6.8 t 30.66 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' ILE . 6.5 tt0 37.65 49.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -103.2 -49.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 135.08 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -95.79 161.86 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 39.1 m-85 -148.63 158.03 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -53.29 -31.46 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -171.26 -177.57 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 42' ' ' ILE . 58.6 tp -64.98 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.495 ' CB ' HD13 ' A' ' 11' ' ' ILE . 58.6 tp -64.71 -49.39 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.11 -42.44 99.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -57.75 -39.95 78.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 108' ' ' LEU . 28.1 t -72.5 -47.17 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.65 -23.18 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 16.0 t80 -75.61 -50.04 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.5 m-85 -74.72 -21.81 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -54.97 -24.79 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 59.5 m -123.43 -28.17 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.485 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.3 m170 -100.68 134.91 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -59.11 155.67 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -91.07 6.95 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -60.29 -41.36 93.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.49 -44.05 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 m -81.18 -47.46 13.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -126.15 104.85 8.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.16 -21.44 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.94 -20.16 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 2.0 tp -111.89 105.82 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 4.7 m-20 -121.0 94.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -165.37 169.45 15.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.446 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.6 p -134.1 131.94 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.617 HD13 ' CE2' ' A' ' 40' ' ' TYR . 7.6 mt -44.41 104.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 29.2 mttt -94.35 -74.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 5.2 m-85 -113.47 147.45 37.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -171.31 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG21 HD22 ' A' ' 86' ' ' LEU . 4.9 mp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.5 92.94 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.18 -25.52 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 p -73.03 0.99 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.64 -28.72 19.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 67.3 m-85 -76.83 149.12 80.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.64 27.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.7 p-90 -82.05 14.07 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.6 t80 -89.41 127.32 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -103.58 -47.85 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 -149.18 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.78 54.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.8 158.81 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -79.63 131.72 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -50.83 -50.62 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.12 -49.91 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -58.92 -46.19 88.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.691 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.5 m -61.95 -48.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.87 ' HA ' HG11 ' A' ' 62' ' ' VAL . 36.1 t0 -63.37 -27.89 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -81.74 -65.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.91 -38.57 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HG13 ' A' ' 62' ' ' VAL . 8.7 mt -58.36 -33.89 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 37.4 mtpt -61.22 -44.83 96.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -66.75 -2.96 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.29 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.04 -178.33 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.8 p -85.69 15.43 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.62 -2.12 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.6 m -73.72 125.93 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 108' ' ' LEU . 16.3 p90 -127.1 169.06 13.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.5 pp -169.21 164.41 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.701 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -127.26 115.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.35 168.11 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -124.22 160.16 28.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.15 160.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 56' ' ' ILE . 2.8 mt -119.04 144.45 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.3 m -137.81 117.68 13.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.9 mp -131.93 145.32 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 41.9 tptt -89.0 106.96 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 23.5 t80 -150.87 140.63 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 33.9 t30 66.53 33.58 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 53.5 27.79 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -145.82 132.22 19.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.87 HG11 ' HA ' ' A' ' 29' ' ' ASP . 76.1 t -81.8 109.57 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 27.2 mmtt -92.91 149.31 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 66' ' ' LYS . 73.2 mt -87.13 156.21 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -108.59 128.48 54.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -104.48 102.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 127.93 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.2 103.87 9.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -145.31 149.24 34.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.1 37.22 28.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.408 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 9.7 t-20 59.63 34.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.8 m95 -128.35 160.39 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 mt -138.07 125.41 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.1 p80 -167.72 -175.09 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.0 pt -137.64 154.77 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' ALA . 7.0 t 31.86 36.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ILE . 21.8 mt-10 34.33 49.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.63 -33.42 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -163.57 127.08 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -83.42 141.79 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 28.5 m-85 -128.86 156.44 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.96 -29.88 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -166.09 -178.83 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.3 tp -68.43 -29.01 67.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 11' ' ' ILE . 19.8 tp -62.5 -48.43 79.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.2 tt -62.03 -37.0 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 85' ' ' LEU . 57.4 t -78.51 -46.0 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.81 -23.42 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 11.2 t80 -72.43 -49.9 30.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.4 m-85 -75.89 -19.65 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HG3' HD12 ' A' ' 108' ' ' LEU . 30.1 mt-30 -57.78 -23.2 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 41.4 t -124.06 -26.87 3.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.488 ' C ' HG22 ' A' ' 107' ' ' THR . 1.1 m170 -103.19 131.19 50.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.5 ' HA ' HG23 ' A' ' 107' ' ' THR . 13.1 t -54.11 148.03 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 92' ' ' TYR . 13.6 mt -78.13 -7.04 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.2 pttp -45.24 -44.62 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 7.2 mm-40 -38.0 -50.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 m -76.27 -56.37 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -118.16 107.59 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -56.42 -18.84 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -86.75 -17.99 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp -108.05 106.15 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -119.29 94.39 4.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 t -168.57 158.83 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 96' ' ' SER . 21.4 p -128.06 130.74 48.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.7 mt -39.65 102.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -92.41 -74.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -115.19 151.7 46.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.642 0.734 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.827 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.78 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.9 p90 -105.4 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' TYR . 1.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.866 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.755 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 26.0 t0 -89.78 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -74.48 -28.37 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.787 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.8 p -75.34 4.12 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -91.57 -25.09 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.9 m-85 -82.04 150.48 65.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.749 0.785 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -29.4 24.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.667 ' CE3' HD13 ' A' ' 42' ' ' ILE . 11.2 p-90 -78.58 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CZ ' HG22 ' A' ' 14' ' ' THR . 20.0 t80 -82.56 130.41 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -92.58 -52.13 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.601 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 74.31 92.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.522 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.09 49.16 15.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.801 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -80.09 152.05 29.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 23' ' ' MET . 1.3 pt-20 -97.07 119.29 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' GLU . 27.7 ttm180 -34.2 -44.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -53.92 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -55.46 -35.05 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 1.045 HG23 HD21 ' A' ' 41' ' ' LEU . 4.2 m -64.76 -49.75 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.48 -16.51 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.97 -28.61 17.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 0.6 OUTLIER -92.46 -40.42 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 20.4 mt -66.07 -49.53 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.54 -36.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -78.32 -41.57 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.04 177.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.42 -174.94 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.3 m -88.7 26.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.08 1.26 2.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 111' ' ' PRO . 82.0 m -80.51 113.98 19.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.624 ' HB3' HG23 ' A' ' 56' ' ' ILE . 28.9 p90 -113.48 158.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.045 HD21 HG23 ' A' ' 28' ' ' THR . 1.3 pp -155.14 163.47 40.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.667 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.1 mp -133.71 115.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.704 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -101.45 169.68 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -109.78 158.97 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.91 156.51 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.624 HD11 HD22 ' A' ' 88' ' ' LEU . 14.0 mt -122.65 144.42 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.445 ' OG ' ' NE ' ' A' ' 43' ' ' ARG . 1.5 m -137.88 117.68 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -125.83 169.17 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 56' ' ' ILE . 18.3 tptm -115.91 112.71 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -142.85 150.34 39.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 54.5 35.32 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 59.61 31.08 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -142.67 158.41 43.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 t -107.99 106.81 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.78 149.7 22.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 72.9 m-70 -123.94 127.94 48.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.8 mt -113.64 107.95 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 76' ' ' ILE . 5.6 pttp -72.01 141.74 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 74' ' ' ILE . 44.5 t -105.24 131.88 53.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -108.06 134.22 50.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -116.03 106.01 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -140.18 146.82 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 75.2 m-20 56.97 38.93 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 79.5 m-20 56.72 39.06 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 39.7 m95 -143.52 162.04 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 84' ' ' SER . 5.2 mt -123.14 127.41 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.36 169.0 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 77' ' ' THR . 33.8 pt -129.15 133.44 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.5 t 46.45 24.92 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 61.9 40.56 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.76 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 81' ' ' LYS . 7.9 tptp -143.03 144.93 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -103.74 142.85 33.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -133.56 159.21 41.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.75 -18.11 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.654 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.4 m -173.92 -179.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 HG21 ' A' ' 42' ' ' ILE . 18.2 tp -63.71 -52.91 58.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -41.53 -50.99 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.99 -45.84 68.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 54' ' ' ILE . 8.9 tt -58.32 -41.48 84.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 108' ' ' LEU . 87.4 t -68.46 -57.13 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -51.51 -33.22 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.483 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 36.1 t80 -65.81 -47.93 73.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.416 ' CD2' HD21 ' A' ' 97' ' ' LEU . 22.9 m-85 -76.83 -21.29 55.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 108' ' ' LEU . 2.7 mt-30 -56.51 -20.19 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.34 -30.06 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -101.25 133.04 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.421 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 31.7 t -58.54 153.31 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.5 mt -84.74 8.96 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.5 pttp -58.82 -40.93 85.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.0 mm-40 -49.03 -47.8 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 m -71.27 -45.47 63.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.4 117.8 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -11.03 11.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.38 -10.32 23.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -114.68 100.82 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.92 92.26 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.5 t -163.11 166.83 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 43.6 p -138.14 130.91 29.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.772 HD12 ' HG2' ' A' ' 93' ' ' GLN . 11.5 mt -41.54 105.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -95.25 -66.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.93 151.53 55.03 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.903 ' O ' HG23 ' A' ' 39' ' ' THR . 53.6 Cg_endo -69.82 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.631 2.22 . . . . 0.0 112.375 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 19' ' ' PHE . 1.6 p90 -99.66 -174.32 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.529 HG21 HD22 ' A' ' 86' ' ' LEU . 22.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.01 111.82 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -82.2 -30.94 30.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.734 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.5 p -72.28 2.37 6.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 -20.85 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.686 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.1 m-85 -84.77 149.31 53.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.69 25.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.686 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.1 p-90 -81.06 15.6 1.81 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.734 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.6 t80 -92.62 117.49 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -72.83 -66.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . 98.62 73.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 1.9 p-10 36.71 45.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.552 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.0 ptm -69.77 -176.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -87.9 141.59 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.29 -53.9 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 27' ' ' GLN . 10.3 pt20 -56.26 -41.12 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 12.8 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.748 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.7 m -63.05 -51.26 67.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.35 -14.02 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 51.4 m-20 -86.72 -32.21 20.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.5 pp -93.13 -33.49 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.6 mt -67.74 -49.76 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' SER . 13.3 pttm -41.09 -41.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 27.2 t -73.45 -39.95 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CD2' HG21 ' A' ' 39' ' ' THR . 17.6 m-70 -51.01 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.98 -177.01 6.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.0 p -86.74 34.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.52 13.73 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' PRO . 16.7 m -84.52 124.53 31.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -121.26 155.84 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.748 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.3 pp -154.63 160.9 41.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.444 HG21 HD21 ' A' ' 85' ' ' LEU . 2.6 mp -133.93 109.89 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 48.3 ptt85 -114.12 174.07 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 8.2 mmm-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 9.4 m-85 -165.34 130.16 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.94 131.59 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.475 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -101.22 123.24 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -116.2 124.56 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 mp -129.94 136.47 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -84.05 110.44 18.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -151.04 130.0 12.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 73.53 44.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 48.18 31.15 2.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.57 133.08 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.96 101.6 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.535 ' HE2' HD12 ' A' ' 104' ' ' LEU . 7.4 mptt -83.93 131.31 34.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -110.68 114.83 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 76' ' ' ILE . 5.0 mp -98.5 156.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 76' ' ' ILE . 7.2 ptmt -104.79 160.46 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.945 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 74' ' ' ILE . 85.5 t -134.98 96.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.439 HG11 ' CE1' ' A' ' 75' ' ' HIS . 7.6 p -80.87 157.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.55 102.93 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -138.06 149.95 46.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.25 24.99 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 70.24 31.53 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -128.79 173.28 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.525 HG23 HG13 ' A' ' 67' ' ' VAL . 2.9 mt -138.83 114.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.533 ' CD2' ' HD3' ' A' ' 81' ' ' LYS . 3.4 p80 -138.13 176.68 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 66' ' ' LYS . 33.3 pt -137.13 146.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 77' ' ' THR . 1.3 t 32.01 35.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.6 mt-10 44.0 50.98 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.15 -36.17 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -174.61 132.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.533 ' HD3' ' CD2' ' A' ' 75' ' ' HIS . 11.5 mmtt -91.08 137.28 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.1 m-85 -128.23 141.19 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 14.9 t0 -36.77 -37.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 m -165.49 -176.95 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 42' ' ' ILE . 46.5 tp -61.89 -54.87 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 11' ' ' ILE . 45.2 tp -39.8 -53.4 2.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -56.38 -51.5 68.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -52.05 -46.08 64.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.6 t -63.08 -51.21 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.443 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.5 t80 -57.83 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.56 -32.05 67.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 108' ' ' LEU . 39.4 mt-30 -44.84 -25.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.3 m -119.07 -33.21 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.505 ' C ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -97.37 129.07 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -52.91 151.24 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.69 20.27 2.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -71.09 -37.23 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -51.04 -41.05 59.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -85.0 -53.26 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -119.98 113.69 20.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -61.33 -38.89 88.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.03 -20.96 65.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 63' ' ' LYS . 1.7 tp -109.67 115.22 29.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -130.64 95.54 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -172.54 174.07 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.505 HG22 ' C ' ' A' ' 95' ' ' HIS . 55.2 p -134.0 132.42 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 93' ' ' GLN . 6.4 mt -34.84 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -90.56 -73.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.85 149.09 41.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 39' ' ' THR . 53.5 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -95.55 170.05 9.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.875 0.369 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 37.6 t0 -98.72 105.81 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.36 -23.9 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.647 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.9 p -76.99 5.38 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.32 -23.16 16.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 68.8 m-85 -77.72 149.82 78.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -24.68 29.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.266 . . . . 0.0 112.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.9 p-90 -84.6 14.77 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 t80 -94.4 129.13 41.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 95.91 97.39 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 21' ' ' GLY . 6.0 p-10 33.22 54.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.589 ' HE3' HD21 ' A' ' 31' ' ' LEU . 24.1 ttp -75.06 156.02 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 133.33 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -42.79 -67.71 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -49.51 -47.53 48.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.6 tt0 -56.1 -20.73 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.624 ' CG2' HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.61 -44.88 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.633 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -77.02 -14.14 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -94.23 -34.83 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.671 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -84.44 -24.97 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD23 ' A' ' 41' ' ' LEU . 15.5 mt -82.31 -30.94 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.92 -33.23 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -75.81 -23.89 55.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -80.69 177.34 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -179.5 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -82.59 16.54 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.54 5.2 6.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -82.64 125.17 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.635 ' HB3' HG23 ' A' ' 56' ' ' ILE . 19.7 p90 -121.37 166.26 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 28' ' ' THR . 1.1 pp -163.26 157.17 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.2 mp -124.84 119.92 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HG2' HD11 ' A' ' 41' ' ' LEU . 7.8 mtp180 -96.16 170.75 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.99 161.05 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' A' ' 67' ' ' VAL . . . -147.5 149.44 32.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 88' ' ' LEU . 29.1 mt -122.83 120.51 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -118.02 126.45 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -134.71 147.56 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -87.94 120.08 28.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 90.0 t80 -156.87 140.92 16.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 63.96 36.69 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 52.94 28.21 6.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -147.29 133.03 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG21 ' HA ' ' A' ' 29' ' ' ASP . 81.9 t -73.78 117.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.638 ' HG3' HD11 ' A' ' 104' ' ' LEU . 18.9 mmtm -102.22 144.6 30.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.4 131.78 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.2 mt -121.29 98.01 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -64.22 148.01 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG23 ' HA ' ' A' ' 53' ' ' ALA . 12.3 t -123.6 146.3 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.459 HG21 ' NE2' ' A' ' 75' ' ' HIS . 18.9 m -121.68 155.71 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.33 102.36 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -133.32 149.81 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 53.6 35.65 21.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 33.1 m120 60.13 35.21 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.7 m95 -134.4 173.96 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.92 129.56 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.459 ' NE2' HG21 ' A' ' 68' ' ' VAL . 23.7 p-80 -152.25 -177.72 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.4 pt -143.69 143.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.9 t 38.56 27.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' ILE . 48.1 mt-10 48.61 45.52 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.95 -44.35 6.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 1.3 tppp? -153.26 139.0 17.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -99.86 126.39 45.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 34.7 m-85 -120.35 147.98 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.31 -29.22 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -170.07 179.81 3.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.9 tt -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.0 tp -48.7 -51.33 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.57 -38.7 92.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.1 tt -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 85' ' ' LEU . 26.0 t -78.28 -48.16 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.585 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 52.3 t80 -69.18 -48.92 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.94 -21.09 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -56.41 -22.06 29.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.2 m -125.07 -28.75 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -101.24 130.43 47.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 6.7 t -55.14 149.41 12.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.88 12.09 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -68.89 -32.11 71.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -48.82 -46.69 42.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -84.78 -47.36 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -125.32 96.93 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -45.2 -51.47 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -54.02 -30.74 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.638 HD11 ' HG3' ' A' ' 63' ' ' LYS . 1.4 tp -95.55 107.86 20.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 9.7 t70 -123.39 101.72 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.1 t -171.79 161.61 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 71.0 p -133.03 133.11 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' ' 40' ' ' TYR . 7.0 mt -45.07 107.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 57.2 mttt -100.08 -71.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 1.6 m-85 -112.81 147.8 37.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.717 0.77 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -172.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.77 -174.91 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -75.24 91.49 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -76.02 -35.89 59.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.875 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 65.6 p -61.32 -8.9 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -26.98 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 61.0 m-85 -77.07 147.3 76.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.715 0.769 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -31.93 19.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 p-90 -72.14 1.77 6.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.875 ' CZ ' HG22 ' A' ' 14' ' ' THR . 9.8 t80 -84.09 134.91 34.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.22 -49.81 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.07 -144.35 18.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 22.4 t30 -94.48 54.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ptm -74.18 -175.39 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -108.12 140.05 41.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -44.26 -52.64 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -52.0 -50.39 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.7 -44.6 63.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.951 HG23 HD21 ' A' ' 41' ' ' LEU . 16.0 m -58.77 -50.76 72.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.58 ' CG ' HG11 ' A' ' 62' ' ' VAL . 8.0 t0 -68.26 -29.53 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 54.2 m-20 -72.47 -36.62 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 35' ' ' HIS . 2.1 pp -89.19 -27.84 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 28' ' ' THR . 22.1 mt -79.7 -47.99 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 19.6 ptmt -35.74 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 38.9 t -88.8 -41.62 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' CG ' HG21 ' A' ' 39' ' ' THR . 19.9 m-70 -46.14 171.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.95 -174.79 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -87.18 30.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 9.09 1.07 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.605 HG21 ' CG ' ' A' ' 35' ' ' HIS . 52.9 m -82.86 126.11 32.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 17.8 p90 -126.29 164.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.951 HD21 HG23 ' A' ' 28' ' ' THR . 1.1 pp -169.58 159.06 8.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -123.86 123.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.08 174.09 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 1.9 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -104.82 143.76 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 65' ' ' ILE . . . -141.74 162.68 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.845 HG22 HD11 ' A' ' 56' ' ' ILE . 48.9 mt -131.51 130.47 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.493 ' CB ' HG21 ' A' ' 28' ' ' THR . 1.4 t -121.38 129.56 53.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.845 HD11 HG22 ' A' ' 54' ' ' ILE . 2.7 mp -140.59 130.02 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -80.0 112.28 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE2' ' CG ' ' A' ' 59' ' ' ASN . 85.3 t80 -145.3 155.37 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' CG ' ' CE2' ' A' ' 58' ' ' PHE . 23.2 m-20 52.22 38.35 24.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t0 56.62 26.6 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.34 125.77 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' CG ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -71.24 115.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 104' ' ' LEU . 49.7 mmtt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -113.78 128.31 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 45.1 mt -116.43 153.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 65' ' ' ILE . 40.3 pttt -119.8 137.62 53.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 76' ' ' ILE . 40.2 t -100.49 151.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.8 t -133.04 130.46 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 102.86 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -134.69 150.11 50.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.5 t70 53.34 41.24 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.62 25.28 11.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.7 m95 -128.8 166.77 18.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.98 130.47 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -158.08 177.39 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 HD11 ' A' ' 88' ' ' LEU . 19.9 pt -131.0 137.67 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 76' ' ' ILE . 7.0 t 42.86 25.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 54.25 45.85 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.09 -48.94 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 5.6 tmtm? -148.98 122.5 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 9.0 ptpt -78.86 121.05 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE1' ' HD2' ' A' ' 80' ' ' LYS . 48.8 m-85 -116.85 170.79 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -31.09 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -152.66 175.15 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.7 -24.67 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.83 -46.24 79.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.25 -40.46 96.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.7 tt -60.31 -35.84 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -75.91 -49.12 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.23 -34.05 75.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.4 t80 -56.67 -55.79 29.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.89 -34.02 72.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.818 ' HG3' HD12 ' A' ' 108' ' ' LEU . 48.6 mt-30 -42.28 -25.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 m -118.61 -31.43 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.501 ' C ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -100.68 127.64 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -51.75 146.46 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' A' ' 104' ' ' LEU . 3.1 mt -79.9 12.18 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -66.42 -36.44 82.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.22 -47.41 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 p -78.46 -43.87 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -129.22 104.5 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.02 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.89 -19.67 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 63' ' ' LYS . 7.5 tp -109.26 106.0 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -119.03 91.28 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -172.29 157.71 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.501 HG22 ' C ' ' A' ' 95' ' ' HIS . 41.6 p -123.67 131.79 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.818 HD12 ' HG3' ' A' ' 93' ' ' GLN . 12.1 mt -34.56 103.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -93.05 -74.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -112.71 147.26 36.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.753 0.787 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.77 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.404 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -92.55 -174.93 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.814 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.497 HG21 HD22 ' A' ' 86' ' ' LEU . 53.5 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.22 105.79 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -84.45 -27.05 27.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.077 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 74.7 p -70.73 -3.81 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.48 -30.81 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 61.2 m-85 -73.39 145.47 85.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.708 0.766 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -28.24 25.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.3 p-90 -77.89 5.16 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.077 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.1 t80 -94.76 128.0 41.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -94.92 -61.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 112.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.1 t30 40.25 53.24 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 4.1 ttm -89.35 155.9 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.52 147.03 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -28.13 67.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -80.76 -46.19 15.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -57.23 -37.78 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.705 HG23 HD21 ' A' ' 41' ' ' LEU . 1.6 m -63.91 -50.62 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' HA ' HG21 ' A' ' 62' ' ' VAL . 9.3 t0 -73.83 -13.0 60.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -86.71 -33.58 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 32' ' ' LEU . 1.2 pp -92.64 -38.19 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 14.6 mt -65.35 -49.05 70.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -37.47 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -79.63 -32.5 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LEU . 7.7 m80 -62.23 -177.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.26 -174.91 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 m -87.37 22.65 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -3.97 3.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -71.81 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.882 ' CE2' HD13 ' A' ' 108' ' ' LEU . 14.0 p90 -128.61 167.42 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 28' ' ' THR . 2.8 pp -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 85' ' ' LEU . 2.7 mp -132.71 117.05 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG2' ' CD1' ' A' ' 41' ' ' LEU . 9.5 mtm-85 -103.07 164.83 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 85' ' ' LEU . 6.0 m-85 -157.4 153.26 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -150.07 156.27 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.817 HG22 HD11 ' A' ' 56' ' ' ILE . 18.0 mt -133.68 112.51 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -114.86 118.48 33.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -128.77 135.04 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -80.28 118.79 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -158.96 133.75 8.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 73.06 28.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.56 32.73 21.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -151.57 123.38 8.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 29' ' ' ASP . 69.0 t -74.92 108.62 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' A' ' 104' ' ' LEU . 29.3 mmtt -91.48 144.47 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.32 115.82 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -109.72 107.15 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -75.51 135.11 40.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.495 ' HA ' HG22 ' A' ' 76' ' ' ILE . 75.7 t -91.59 137.26 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.04 135.75 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HG2' ' CG1' ' A' ' 74' ' ' ILE . 8.2 mt-10 -124.87 102.4 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -139.2 150.04 45.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 52.91 44.36 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 52.97 38.52 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -131.38 174.27 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.7 mt -146.28 125.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.4 p80 -165.21 -175.02 3.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' GLU . 41.3 pt -137.62 153.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.8 t 29.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 76' ' ' ILE . 3.1 mp0 36.48 50.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.4 -39.47 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -158.98 122.66 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -82.06 121.96 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 80' ' ' LYS . 44.0 m-85 -114.09 169.61 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -36.92 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -151.88 178.54 9.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.8 tp -69.7 -27.14 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 11' ' ' ILE . 37.9 tp -62.49 -51.45 67.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.08 -40.03 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -60.51 -34.1 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG13 ' CD1' ' A' ' 108' ' ' LEU . 94.5 t -81.14 -50.54 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.78 -21.63 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.451 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 67.1 t80 -74.59 -49.76 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -74.3 -27.8 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.89 -24.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.96 -33.7 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.457 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.0 127.34 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 5.3 t -53.15 158.25 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 104' ' ' LEU . 3.9 mt -84.58 -5.82 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 31.5 pttt -47.15 -43.64 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 41.5 mt-10 -45.4 -48.06 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.7 m -81.82 -42.94 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -133.37 96.2 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -50.35 6.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.09 -33.4 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.514 HD13 ' HG3' ' A' ' 63' ' ' LYS . 4.1 tp -98.39 111.16 23.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.33 92.33 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -166.52 165.25 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 95' ' ' HIS . 49.9 p -132.61 130.67 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' CE2' ' A' ' 40' ' ' TYR . 9.7 mt -33.93 102.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -91.16 -74.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -116.95 148.34 41.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -169.66 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -102.03 -175.0 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.861 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 57.3 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 36.0 t0 -83.92 88.53 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 13.1 m-85 -71.65 -27.88 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.045 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 52.4 p -69.0 -2.54 10.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -88.29 -26.39 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 72.5 m-85 -81.33 147.48 60.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.95 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.3 p-90 -74.46 4.32 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.045 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.0 t80 -95.3 129.53 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . . . -99.53 -54.29 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.62 115.13 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 24.8 t30 39.73 48.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.951 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.577 ' HE1' HD21 ' A' ' 31' ' ' LEU . 5.4 ttm -80.89 162.47 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 23' ' ' MET . 28.0 mt-10 -91.56 124.87 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -47.54 -59.12 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 8.9 tp60 -47.42 -53.46 13.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.9 tt0 -56.13 -34.04 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.801 HG23 HD21 ' A' ' 41' ' ' LEU . 1.8 m -64.98 -46.99 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -79.88 -15.26 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 79.7 m-20 -91.98 -29.2 16.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD21 ' HE1' ' A' ' 23' ' ' MET . 1.8 pp -92.12 -31.02 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 35' ' ' HIS . 53.3 mt -77.38 -49.48 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -40.39 -38.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -78.03 -33.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' LEU . 4.5 m80 -59.2 -176.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.14 -174.74 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -88.16 28.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.4 8.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 111' ' ' PRO . 99.0 m -84.85 118.63 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CE2' HD13 ' A' ' 108' ' ' LEU . 13.8 p90 -119.81 166.68 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.801 HD21 HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -168.2 161.0 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -129.48 122.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -131.75 165.62 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -158.14 146.16 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.64 145.23 24.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -110.07 127.22 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -119.52 118.41 30.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -133.96 136.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.119 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -83.29 125.27 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -161.69 145.63 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.3 t30 52.75 46.96 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 48.74 25.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -143.11 140.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.05 106.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -85.13 130.39 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -105.28 108.67 20.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.459 HG12 ' CE1' ' A' ' 101' ' ' PHE . 83.4 mt -89.29 152.66 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 65' ' ' ILE . 16.4 pttt -116.57 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.597 ' HA ' HG22 ' A' ' 76' ' ' ILE . 97.8 t -102.95 155.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.449 ' N ' HG12 ' A' ' 67' ' ' VAL . 21.4 m -139.6 156.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -131.4 108.3 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -138.43 150.07 46.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 52.36 32.58 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 64.87 31.74 11.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.477 ' CZ3' ' N ' ' A' ' 83' ' ' ASP . 38.8 m95 -129.96 174.61 9.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.5 mt -139.5 128.21 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.03 -175.62 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 77' ' ' THR . 19.4 pt -141.87 137.5 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 76' ' ' ILE . 9.2 t 48.42 25.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 58.69 43.96 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.47 -75.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 5.8 tptp -134.76 138.39 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 112.37 24.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 41.5 m-85 -108.26 137.29 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.477 ' N ' ' CZ3' ' A' ' 73' ' ' TRP . 11.4 t70 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.8 m -164.91 -175.82 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 42' ' ' ILE . 56.8 tp -61.49 -55.94 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' LEU . 66.4 tp -37.14 -51.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.06 -50.66 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -52.68 -36.47 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -51.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.22 -27.98 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 85.2 t80 -65.72 -53.43 41.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 97' ' ' LEU . 42.8 m-85 -71.08 -26.44 63.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' A' ' 108' ' ' LEU . 13.3 mt-30 -48.01 -26.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.0 m -119.44 -30.36 4.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.38 131.46 45.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.0 OUTLIER -50.39 160.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 92' ' ' TYR . 9.0 mt -101.59 17.36 23.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 5.8 ptpt -65.68 -44.66 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 8.8 mp0 -38.56 -52.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 101' ' ' PHE . 9.8 t -74.49 -56.42 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' OG ' ' A' ' 100' ' ' SER . 46.7 m-85 -117.12 106.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -60.37 -14.96 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -95.83 0.81 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 5.8 tp -127.84 79.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -97.25 86.21 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -161.25 171.58 18.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.453 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -133.5 134.65 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.6 HD13 ' CE2' ' A' ' 40' ' ' TYR . 17.2 mt -38.98 112.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -104.55 -74.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.75 148.36 39.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.653 0.739 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 39' ' ' THR . 53.2 Cg_endo -69.74 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -87.21 -174.59 4.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.455 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 5.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 86' ' ' LEU . 40.7 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.903 0.382 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -87.99 104.38 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -88.27 -33.89 17.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.2 p -60.83 -13.45 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.52 56.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.652 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 63.3 m-85 -74.86 148.13 84.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -29.11 24.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.6 p-90 -78.08 10.16 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 14' ' ' THR . 14.9 t80 -84.23 131.81 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.799 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -119.93 -39.45 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 74.07 -143.89 32.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -63.54 76.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.574 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.3 tpp -100.83 150.7 22.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HG3' ' CB ' ' A' ' 27' ' ' GLN . 9.5 pt-20 -96.43 128.71 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.623 ' N ' HH22 ' A' ' 43' ' ' ARG . 4.5 tmm_? -40.85 -46.35 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 27' ' ' GLN . 8.7 pt20 -52.84 -54.0 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.493 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 3.9 tt0 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.805 HG22 HD12 ' A' ' 32' ' ' LEU . 4.2 m -60.03 -50.2 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.579 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.4 t70 -72.78 -35.42 67.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.8 -32.17 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 23' ' ' MET . 1.5 pp -93.15 -36.45 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.805 HD12 HG22 ' A' ' 28' ' ' THR . 35.3 mt -71.48 -47.03 58.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 34' ' ' SER . 15.6 ptmt -41.41 -46.45 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 1.3 t -67.89 -40.32 83.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -53.67 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.45 -175.16 3.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.5 m -84.04 24.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' CA ' ' HE2' ' A' ' 109' ' ' LYS . . . -132.33 -7.68 2.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 111' ' ' PRO . 98.9 m -73.49 128.38 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 108' ' ' LEU . 12.4 p90 -134.39 163.06 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -160.21 166.49 29.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.817 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.3 mp -126.18 109.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.623 HH22 ' N ' ' A' ' 25' ' ' ARG . 5.8 ptm180 -99.65 166.73 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HG2' ' CD2' ' A' ' 52' ' ' PHE . 9.3 ttm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 29.1 m-85 -133.76 158.36 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 43' ' ' ARG . . . -148.03 159.06 44.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 56' ' ' ILE . 25.3 mt -134.83 124.07 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -117.61 127.32 53.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.18 138.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -82.66 128.65 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 104' ' ' LEU . 47.2 t80 -173.33 145.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 60.58 45.83 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 44.92 28.43 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -151.13 133.64 15.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.579 HG21 ' HA ' ' A' ' 29' ' ' ASP . 93.3 t -81.29 114.72 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG3' HD13 ' A' ' 104' ' ' LEU . 31.1 mmtm -88.82 150.7 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -137.47 117.16 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.29 149.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -103.88 103.57 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 76' ' ' ILE . 69.8 t -78.07 95.04 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.74 153.66 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -133.14 104.8 6.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.2 149.98 50.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.8 m-20 52.98 38.63 27.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.602 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 3.8 t30 58.95 29.7 19.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 14.5 m95 -129.26 167.26 17.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.513 HG23 ' CG1' ' A' ' 67' ' ' VAL . 4.5 mt -132.63 127.6 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.4 170.7 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 67' ' ' VAL . 37.4 pt -138.69 147.0 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.5 t 39.61 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' ILE . 31.9 mt-10 46.22 48.94 12.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.51 -47.47 5.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -161.02 136.85 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -89.57 134.14 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.5 m-85 -123.47 140.71 52.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 24.2 t70 -36.34 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.2 m -174.73 -176.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 89' ' ' VAL . 19.5 tp -59.12 -44.27 92.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 11' ' ' ILE . 57.9 tp -50.25 -56.66 10.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.65 -51.96 61.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.602 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.7 tt -49.52 -42.57 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 108' ' ' LEU . 57.9 t -69.34 -50.79 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.83 -26.76 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 77.6 t80 -66.59 -54.95 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.694 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.3 m-85 -70.93 -24.89 62.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.19 -24.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -123.02 -31.0 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.2 128.71 44.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -50.17 153.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.3 mt -91.88 20.05 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 38.3 pttt -71.13 -44.45 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -36.81 -53.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -76.43 -53.39 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -116.73 99.19 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -52.36 -26.55 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 5.3 pt20 -79.74 -23.01 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.765 HD13 ' HG3' ' A' ' 63' ' ' LYS . 8.9 tp -104.22 103.39 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.45 94.94 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 t -171.53 169.29 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.52 HG22 ' C ' ' A' ' 95' ' ' HIS . 36.8 p -132.62 130.88 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 40' ' ' TYR . 8.2 mt -34.36 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HE2' ' CA ' ' A' ' 38' ' ' GLY . 13.5 mtmm -88.9 -75.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.81 152.85 49.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.697 0.761 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' ' 39' ' ' THR . 53.4 Cg_endo -69.78 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.9 -175.01 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -96.04 102.57 14.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -80.95 -28.52 35.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 47.2 p -70.23 -8.75 52.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.24 -25.67 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.678 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 62.2 m-85 -73.78 146.8 85.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.74 . . . . 0.0 111.015 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.678 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 16.7 p-90 -79.79 13.33 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.3 t80 -96.49 128.65 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -89.87 -62.16 1.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 93.56 108.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.3 m-80 34.09 42.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -80.06 150.25 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 23' ' ' MET . 51.2 mm-40 -86.64 142.42 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -54.89 -48.25 73.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -54.19 -60.57 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -47.73 -49.34 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 32' ' ' LEU . 52.3 m -50.39 -53.59 28.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.657 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 t0 -68.81 -22.06 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -75.79 -37.36 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.3 -30.88 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 28' ' ' THR . 14.5 mt -72.72 -48.26 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -39.6 -41.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 m -75.67 -39.98 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.412 ' ND1' HG21 ' A' ' 39' ' ' THR . 3.1 m170 -48.62 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -175.99 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 m -88.15 36.45 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.23 14.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.412 HG21 ' ND1' ' A' ' 35' ' ' HIS . 22.8 m -85.41 115.49 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 108' ' ' LEU . 22.3 p90 -116.14 162.92 16.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.958 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -171.4 170.93 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.958 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -137.35 125.35 32.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' NH2' ' ND1' ' A' ' 64' ' ' HIS . 5.6 ptt-85 -134.77 172.21 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' HD22 ' A' ' 85' ' ' LEU . 4.1 m-30 -110.93 149.8 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.98 123.37 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 56' ' ' ILE . 18.2 mt -95.93 123.26 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -117.66 125.46 50.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 54' ' ' ILE . 4.1 mp -130.81 143.3 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 61' ' ' GLU . 12.9 tptm -98.62 101.58 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 106' ' ' THR . 8.1 t80 -140.21 133.44 29.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 9.9 t30 74.27 31.03 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t0 60.25 31.33 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 12.1 mt-10 -150.18 128.25 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 29' ' ' ASP . 94.9 t -80.26 112.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.709 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -95.77 129.62 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 96.7 m-70 -107.82 110.06 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.26 103.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -59.26 147.09 36.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.36 126.96 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.3 t -96.49 132.22 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.41 102.24 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -141.43 141.89 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' CG ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 m-20 57.62 39.99 27.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.7 m-20 57.17 32.91 22.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.541 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.4 m95 -128.52 150.61 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.4 mt -127.24 129.77 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 5.6 p80 -166.87 -175.06 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' GLU . 39.4 pt -140.08 157.01 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 30.86 36.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 76' ' ' ILE . 44.0 mt-10 37.02 52.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.49 -34.92 11.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 2.8 tppt? -174.33 124.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 133.54 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -122.89 145.91 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -41.26 -37.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -175.51 -175.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.3 tp -54.44 -44.33 72.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.1 tp -51.17 -55.27 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.29 -50.74 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.8 tt -57.17 -39.83 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 85' ' ' LEU . 90.7 t -65.62 -51.09 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.68 -40.79 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.449 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 33.5 t80 -54.72 -51.99 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.42 -31.02 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.865 ' HG2' HD12 ' A' ' 108' ' ' LEU . 12.5 mm-40 -48.87 -19.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.0 m -125.9 -33.0 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.458 ' C ' HG22 ' A' ' 107' ' ' THR . 1.7 m170 -97.98 130.37 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 107' ' ' THR . 12.5 t -56.42 157.2 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.22 16.95 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 16.2 pttm -68.45 -42.07 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.8 mm-40 -43.46 -51.69 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -74.87 -49.26 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.53 100.07 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.64 -27.63 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.82 -27.06 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.5 tp -104.88 114.52 28.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -125.97 93.13 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.534 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 5.5 t -169.38 160.51 9.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.1 p -127.33 132.95 50.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.865 HD12 ' HG2' ' A' ' 93' ' ' GLN . 21.1 mt -34.93 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -96.25 -74.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.18 146.19 34.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -79.66 -174.39 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -94.27 109.52 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.56 -20.82 62.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.051 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 80.9 p -81.3 3.19 24.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.97 -22.69 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.41 149.26 61.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.967 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.51 26.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.691 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.5 p-90 -81.15 15.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 1.051 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.9 t80 -94.76 124.4 38.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -85.42 -59.4 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 92.13 82.95 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 25.7 t30 43.87 44.64 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.403 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 40.2 ttp -71.39 157.84 37.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.13 124.69 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -41.11 -64.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -42.15 -56.79 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -51.47 -32.65 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.774 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.8 m -66.18 -49.72 66.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.91 -10.83 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -89.83 -41.13 12.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 35' ' ' HIS . 3.3 pp -82.91 -34.12 26.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.9 mt -68.83 -56.44 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -38.86 -41.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -73.61 -35.33 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.603 ' HD2' HD12 ' A' ' 31' ' ' LEU . 47.8 m-70 -60.72 -177.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 177.39 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 p -83.55 19.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.29 5.92 4.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.4 m -80.98 126.8 31.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.588 ' CD2' HD22 ' A' ' 108' ' ' LEU . 19.1 p90 -122.71 164.26 18.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.774 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.0 pp -160.43 165.68 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.1 mp -140.97 110.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.822 ' NH1' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -116.76 169.61 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -104.9 152.81 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.822 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . . . -149.65 152.83 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 56' ' ' ILE . 16.0 mt -116.7 138.26 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -131.16 122.98 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 HG22 ' A' ' 54' ' ' ILE . 2.4 mp -131.67 142.77 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -88.67 112.01 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -146.59 140.14 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 61.86 40.82 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.81 33.29 13.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.84 135.43 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG1' HD12 ' A' ' 32' ' ' LEU . 87.6 t -87.08 113.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.682 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.1 mptt -89.42 136.64 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -113.12 103.68 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.601 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 71.7 mt -91.44 154.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.22 146.82 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 53' ' ' ALA . 20.0 t -114.59 139.24 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.37 158.33 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -134.41 102.45 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -132.46 149.61 52.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 51.45 37.6 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.5 m120 59.81 37.83 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 18.4 m95 -130.92 174.86 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.28 123.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.15 -175.05 5.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.737 HG23 HD11 ' A' ' 88' ' ' LEU . 32.8 pt -135.93 147.69 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' THR . 6.7 t 33.92 32.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.0 mt-10 47.58 48.19 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.807 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.17 -55.98 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 2.4 mmmp? -135.8 120.62 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -82.27 112.02 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 80' ' ' LYS . 83.9 m-85 -112.9 167.83 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.37 -29.82 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -145.48 174.85 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 42' ' ' ILE . 19.6 tp -68.02 -44.32 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.53 -53.59 22.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.98 -45.5 31.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.737 HD11 HG23 ' A' ' 76' ' ' ILE . 8.8 tt -60.59 -41.11 94.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.16 -55.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.11 -34.35 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.461 ' CZ ' ' HE3' ' A' ' 80' ' ' LYS . 9.4 t80 -61.34 -53.05 61.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.468 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.7 m-85 -73.92 -22.22 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.682 ' CG ' HD12 ' A' ' 108' ' ' LEU . 18.1 mt-30 -54.38 -22.56 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.5 m -125.59 -29.57 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.466 ' C ' HG22 ' A' ' 107' ' ' THR . 1.3 m170 -99.02 130.04 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 107' ' ' THR . 17.5 t -48.72 132.13 17.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -10.87 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.7 ptmt -46.82 -31.07 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.02 -43.8 19.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -81.1 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 51.0 m-85 -107.65 158.3 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -93.25 -28.04 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -85.23 -1.71 57.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' A' ' 63' ' ' LYS . 5.3 tp -114.67 106.86 14.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 85.92 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.3 t -165.82 160.77 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 96' ' ' SER . 26.8 p -126.37 130.44 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.682 HD12 ' CG ' ' A' ' 93' ' ' GLN . 21.2 mt -34.24 100.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.31 -73.31 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -116.36 150.93 46.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.732 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.83 -169.03 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.674 2.249 . . . . 0.0 112.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -97.64 149.54 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.24 120.56 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.6 p -103.17 130.04 50.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.75 -48.16 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -88.72 135.47 33.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 t -123.46 162.02 23.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.14 111.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.4 p -79.77 -52.98 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.62 124.65 15.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -98.59 145.67 26.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.414 HG21 HD22 ' A' ' 86' ' ' LEU . 27.9 mt -61.53 135.91 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.79 102.51 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -75.05 -21.73 58.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.926 HG22 ' CE1' ' A' ' 19' ' ' PHE . 40.3 p -79.99 7.71 8.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -20.04 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.713 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.2 m-85 -84.46 152.12 60.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -28.28 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.713 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -80.49 14.03 2.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.926 ' CE1' HG22 ' A' ' 14' ' ' THR . 13.6 t80 -90.79 131.81 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -112.94 -44.99 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.21 -141.22 16.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.8 p30 -94.0 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.521 ' CE ' HD21 ' A' ' 31' ' ' LEU . 4.1 ptm -68.26 -178.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.58 119.86 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -39.82 -64.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -47.08 -41.99 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -61.89 -34.43 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.611 HG22 HD12 ' A' ' 32' ' ' LEU . 23.7 m -64.87 -51.22 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -71.64 -12.09 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.29 -38.7 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 23' ' ' MET . 2.6 pp -86.02 -37.3 19.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 41' ' ' LEU . 25.5 mt -67.97 -55.58 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -43.2 -41.95 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -70.47 -39.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.0 m-70 -53.57 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.93 -179.85 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -84.83 35.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.39 14.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.576 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -88.01 117.92 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' HB3' HG23 ' A' ' 56' ' ' ILE . 22.0 p90 -116.39 161.05 19.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 32' ' ' LEU . 1.2 pp -161.7 157.49 24.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.585 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -120.63 118.86 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' NH2' ' NH2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -115.5 164.36 14.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -109.81 154.99 22.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' NH2' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -125.62 143.02 43.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 84.25 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.24 . . . . 0.0 112.392 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -161.31 147.28 14.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.93 -58.28 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.35 -62.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 5.8 mp0 -92.97 99.29 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -119.04 33.41 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -160.61 150.43 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.29 164.39 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.481 HG22 HD11 ' A' ' 56' ' ' ILE . 21.0 mt -137.74 125.33 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -121.71 123.75 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -130.51 134.92 61.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -81.95 108.16 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 27.0 t80 -148.57 134.39 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 11.9 t30 69.21 45.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 43.81 32.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -149.82 125.39 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 29' ' ' ASP . 77.3 t -79.83 111.05 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -94.57 140.82 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -120.68 113.88 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.4 mt -99.52 150.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -105.61 143.19 34.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 76' ' ' ILE . 91.0 t -107.39 136.32 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.9 125.84 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.19 104.66 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -140.64 149.58 42.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 73' ' ' TRP . 29.0 m-20 55.35 38.63 30.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.594 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 8.6 m120 58.95 28.77 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.594 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 10.2 m95 -125.65 162.07 25.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 85' ' ' LEU . 6.0 mt -131.94 124.28 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -159.56 175.58 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 77' ' ' THR . 37.8 pt -127.33 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 47.19 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.64 50.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -107.2 -25.85 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.3 tmtp? -161.42 125.83 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 2.8 pptp? -83.84 148.41 27.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 38.5 m-85 -144.54 138.87 27.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.65 -35.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -174.37 172.9 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 42' ' ' ILE . 60.5 tp -46.14 -51.52 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 11' ' ' ILE . 31.3 tp -43.06 -53.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -50.53 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.1 tt -51.26 -38.27 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.0 t -71.35 -52.93 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.97 -26.59 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 61.3 t80 -68.45 -52.61 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.78 -27.45 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HG3' HD12 ' A' ' 108' ' ' LEU . 59.0 mt-30 -49.47 -23.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 70.2 m -121.1 -31.8 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -99.96 127.6 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t -52.14 155.02 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -86.64 12.79 9.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -64.96 -38.85 92.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.11 -47.7 34.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -82.3 -42.15 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -133.15 97.71 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -47.99 -51.37 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -50.1 -33.44 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.579 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.6 tp -99.8 117.67 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -129.91 94.4 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 14.7 t -167.27 169.17 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.8 p -134.41 133.36 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 93' ' ' GLN . 10.6 mt -37.79 103.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -94.76 -74.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.89 149.72 41.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 39' ' ' THR . 52.6 Cg_endo -69.9 -176.35 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.625 2.217 . . . . 0.0 112.31 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 113' ' ' SER . 2.5 p90 -80.05 -174.82 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 112' ' ' TYR . 29.4 t -34.21 -48.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.33 146.78 21.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 94.53 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.612 2.208 . . . . 0.0 112.335 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -89.24 101.43 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 m -101.91 128.25 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -93.54 173.76 7.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.824 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -84.18 119.37 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 176.69 35.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 m -81.48 122.32 27.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -41.33 -44.66 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.72 121.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.564 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -80.55 -59.54 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.795 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -115.34 28.45 8.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -77.42 155.04 32.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.428 HG21 HD22 ' A' ' 86' ' ' LEU . 72.2 mt -85.87 147.59 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.703 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.0 t0 -104.25 95.38 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -78.3 -25.88 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.992 HG22 ' CE2' ' A' ' 19' ' ' PHE . 54.6 p -80.53 9.19 6.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -101.41 -22.22 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.698 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.9 m-85 -80.28 152.56 73.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.714 0.769 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -28.58 24.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.9 p-90 -79.35 12.06 2.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.992 ' CE2' HG22 ' A' ' 14' ' ' THR . 8.8 t80 -93.67 135.45 34.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.756 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -116.04 -47.72 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.24 -138.72 14.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.18 78.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.539 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -95.35 159.68 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 mt-10 -107.47 126.92 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' GLU . 13.0 mmm-85 -33.98 -47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -66.55 -49.74 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' HG3' HD23 ' A' ' 31' ' ' LEU . 9.1 tp60 -52.35 -49.74 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.506 HG23 HD21 ' A' ' 41' ' ' LEU . 10.6 m -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 62' ' ' VAL . 4.5 t0 -72.63 -12.59 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -88.95 -34.56 16.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.1 pp -91.71 -33.55 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -68.25 -51.32 46.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 34' ' ' SER . 11.0 pttp -36.89 -44.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.6 t -68.64 -39.82 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CD2' HG21 ' A' ' 39' ' ' THR . 12.6 m-70 -59.28 -179.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.58 -175.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.2 m -84.07 16.79 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.11 1.15 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 111' ' ' PRO . 53.0 m -79.53 124.18 28.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.669 ' CD2' HD22 ' A' ' 108' ' ' LEU . 14.5 p90 -126.27 158.41 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -163.37 162.1 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -124.94 117.86 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -125.51 155.19 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -98.16 127.18 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -129.74 139.65 36.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 103.67 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . . . -138.38 171.57 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.43 105.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.83 36.18 19.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.787 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -120.04 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -94.81 -64.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -114.16 175.85 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB2' ' OE2' ' A' ' 50' ' ' GLU . . . -149.9 129.79 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 56' ' ' ILE . 18.4 mt -95.6 122.68 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.46 124.82 46.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.827 HD11 HG22 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.04 140.82 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -84.2 126.48 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 80.2 t80 -168.62 138.74 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 64.5 45.35 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 45.31 33.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -151.3 137.65 18.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 29' ' ' ASP . 42.1 t -89.69 108.26 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.842 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.4 mptt -84.21 144.28 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.21 107.77 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 54' ' ' ILE . 5.3 mp -92.22 151.62 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -111.87 121.96 46.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.977 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' HG23 ' A' ' 74' ' ' ILE . 60.3 t -88.44 112.93 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.63 130.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.02 104.52 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -133.68 149.96 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.3 m-20 48.8 45.82 21.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 29.0 t30 53.12 32.89 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.4 m95 -130.64 162.1 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.413 HG21 ' HA ' ' A' ' 85' ' ' LEU . 8.8 mt -129.56 126.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -156.33 -175.15 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' OH ' ' A' ' 92' ' ' TYR . 33.3 pt -143.26 145.33 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.4 t 44.22 25.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 43.22 43.86 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -94.24 -36.51 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -160.91 139.81 10.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -90.51 139.18 30.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -130.54 140.41 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.84 -27.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -175.21 -177.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 74' ' ' ILE . 18.2 tp -62.68 -47.96 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 11' ' ' ILE . 27.2 tp -45.73 -54.81 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.79 -51.02 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.9 tt -50.24 -42.56 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 108' ' ' LEU . 50.2 t -67.66 -46.85 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -61.38 -24.12 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.452 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 18.2 t80 -71.75 -49.46 38.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.628 ' OH ' HD11 ' A' ' 76' ' ' ILE . 25.9 m-85 -75.44 -20.99 58.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.545 ' HG3' HD12 ' A' ' 108' ' ' LEU . 20.2 mt-30 -56.17 -23.78 37.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.0 m -122.96 -28.58 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -102.1 133.81 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -60.18 153.59 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 104' ' ' LEU . 7.8 mt -81.21 -11.96 59.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -44.18 -38.49 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -48.15 -49.4 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 m -81.74 -45.13 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.76 96.51 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -47.18 -37.34 9.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.01 -30.54 71.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.6 tp -100.9 105.56 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.64 90.42 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.7 t -164.53 160.93 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.424 HG22 ' C ' ' A' ' 95' ' ' HIS . 24.6 p -125.59 136.23 53.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.669 HD22 ' CD2' ' A' ' 40' ' ' TYR . 19.3 mt -42.23 96.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' THR . 71.0 mttt -87.71 -73.47 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -116.05 150.26 44.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 Cg_endo -69.79 -165.21 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -90.6 -176.32 4.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' TYR . 24.5 t -37.24 -68.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 167.19 13.44 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 158.13 58.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.6 m 65.38 38.84 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.6 m -140.42 160.18 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -114.39 145.31 41.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -103.23 115.74 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.34 52.66 0.31 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -83.49 154.46 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -126.39 108.48 11.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.39 68.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -164.73 142.6 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.953 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 17.5 ttm180 -127.07 140.27 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 9' ' ' ARG . 1.2 mp0 -124.84 151.58 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.6 mt -51.17 147.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.8 t0 -98.65 88.44 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.8 m-85 -72.96 -19.18 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.775 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.8 p -80.89 6.57 12.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.83 -19.58 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.28 150.71 64.73 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.14 27.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.702 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.3 p-90 -83.35 15.32 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.775 ' CE1' HG22 ' A' ' 14' ' ' THR . 6.5 t80 -92.9 131.55 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -106.29 -56.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.31 -133.18 11.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -74.22 61.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -83.19 159.03 22.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.6 mm-40 -105.47 127.69 53.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLU . 1.9 mpp_? -35.65 -43.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.42 -49.83 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -51.19 -46.75 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.98 HG23 HD21 ' A' ' 41' ' ' LEU . 28.7 m -60.57 -48.11 83.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.37 -10.85 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.62 -30.98 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.13 -40.1 10.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.6 mt -64.42 -49.04 73.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -41.01 -30.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 t -84.76 -35.16 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CG ' HG21 ' A' ' 39' ' ' THR . 20.4 m-70 -58.35 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.41 -174.87 4.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -85.95 26.25 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.44 7.48 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 111' ' ' PRO . 91.9 m -85.57 120.24 26.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB3' HG23 ' A' ' 56' ' ' ILE . 26.4 p90 -119.69 157.66 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.98 HD21 HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -159.32 158.5 32.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 mp -126.15 122.07 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -113.83 174.67 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' ARG . 13.5 tp10 -111.84 125.37 53.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -110.56 134.98 20.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.778 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 100.62 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.618 2.212 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -173.15 155.14 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -76.14 -57.21 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.18 -56.92 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 11.3 mp0 -96.45 79.29 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.656 ' NE ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -77.8 -42.04 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' ' NE ' ' A' ' 51' ' ' ARG . 20.1 m-85 -110.87 152.93 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.48 148.22 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.024 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 mt -116.43 143.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -139.06 130.38 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.9 OUTLIER -136.31 144.9 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HZ1' ' CA ' ' A' ' 60' ' ' ASP . 11.9 tptp -86.6 119.13 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 11.6 t80 -167.77 146.14 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.7 t-20 69.57 40.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CA ' ' HZ1' ' A' ' 57' ' ' LYS . 25.5 m-20 49.33 26.38 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -150.7 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.21 110.72 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 35.4 mmtt -88.26 151.82 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -131.85 104.14 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.78 140.58 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -105.62 122.21 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 68' ' ' VAL . 28.9 t -82.13 161.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.542 ' N ' HG12 ' A' ' 67' ' ' VAL . 24.9 t -136.41 131.38 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.31 103.67 11.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -141.51 149.62 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.6 t70 57.26 33.59 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 39.6 m-20 60.96 37.18 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 37.5 m95 -142.36 172.53 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.464 HG23 ' CG1' ' A' ' 67' ' ' VAL . 5.3 mt -133.39 136.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.481 ' HA ' HD12 ' A' ' 88' ' ' LEU . 28.0 p80 -168.7 -174.99 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 77' ' ' THR . 41.3 pt -137.94 143.25 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 44.47 25.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 48.01 44.42 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -89.07 -33.13 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -169.68 124.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 123.75 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -113.6 158.21 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.434 ' HB3' ' CD ' ' A' ' 87' ' ' GLU . 14.1 t0 -59.73 -29.75 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -172.74 -176.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 HG21 ' A' ' 42' ' ' ILE . 19.9 tp -60.5 -50.92 71.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -44.2 -54.17 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 83' ' ' ASP . 23.5 mt-10 -54.66 -47.17 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -58.68 -40.09 82.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 ' CD1' ' A' ' 108' ' ' LEU . 47.4 t -68.92 -53.48 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.47 -27.87 62.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 83.3 t80 -67.0 -52.87 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -71.05 -28.48 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.694 ' HG3' HD12 ' A' ' 108' ' ' LEU . 58.6 mt-30 -46.55 -25.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.2 m -119.7 -30.85 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.52 127.05 45.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.6 t -53.06 155.31 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.88 9.73 15.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -63.49 -36.9 85.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -49.35 -47.26 47.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 t -79.7 -52.52 7.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -119.12 108.03 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -56.62 -21.2 25.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -86.26 -21.19 27.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp -105.25 108.44 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.76 94.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -172.96 164.35 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 95' ' ' HIS . 31.8 p -130.04 141.64 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.5 mt -46.36 97.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -85.74 -70.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.26 152.37 50.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.73 0.776 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -99.68 -175.04 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 2.7 t -82.2 101.25 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.54 172.7 18.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.2 p -107.82 29.07 7.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.1 p -87.36 134.79 33.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -144.75 141.19 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -91.84 144.94 24.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.32 155.48 8.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -140.45 113.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 46.01 42.58 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.24 112.76 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -69.39 157.62 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -58.0 96.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.06 154.69 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 36.5 mt -63.0 135.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.538 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 49.3 t0 -78.12 83.95 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.7 m-85 -67.52 -19.48 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.947 HG22 ' CE2' ' A' ' 19' ' ' PHE . 44.2 p -83.21 6.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.47 -20.01 18.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.0 m-85 -79.76 151.26 73.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -27.92 25.82 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.9 p-90 -80.37 13.18 2.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.947 ' CE2' HG22 ' A' ' 14' ' ' THR . 5.1 t80 -99.01 123.43 43.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.39 -37.38 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.69 -143.81 16.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -79.91 56.12 2.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.331 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.486 ' HE3' HG23 ' A' ' 28' ' ' THR . 28.9 ttp -83.06 155.39 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ARG . 26.7 mt-10 -95.84 137.16 35.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 17.4 ttp180 -34.99 -64.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -45.56 -55.28 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -49.65 -30.06 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.58 HG23 HD21 ' A' ' 41' ' ' LEU . 7.0 m -76.06 -46.91 26.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.614 ' HA ' HG11 ' A' ' 62' ' ' VAL . 6.7 t0 -66.47 -26.96 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 30.7 m-20 -74.13 -35.1 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 35' ' ' HIS . 1.2 pp -92.33 -23.58 19.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 HG22 ' A' ' 28' ' ' THR . 13.7 mt -85.13 -49.03 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 11.8 ptmm? -37.74 -46.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -70.99 -40.67 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.8 m-70 -52.34 174.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.37 -177.62 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 m -85.68 23.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.78 -3.32 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.564 HG21 ' CD2' ' A' ' 35' ' ' HIS . 81.9 m -72.2 116.46 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 111.13 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CB ' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -117.09 162.17 18.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -170.73 167.0 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.755 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.9 mp -130.54 117.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -124.79 157.0 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -100.57 131.68 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -100.36 142.57 24.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.79 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.44 176.71 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.24 -56.07 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.2 -73.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.54 155.5 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 20.3 ttm105 -129.27 -42.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -108.03 147.87 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . . . -139.9 152.18 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 56' ' ' ILE . 20.6 mt -121.5 126.77 75.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.421 ' CB ' HG21 ' A' ' 28' ' ' THR . 2.0 m -122.45 111.45 16.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' CB ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -122.03 131.16 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HE2' ' N ' ' A' ' 61' ' ' GLU . 16.2 tptm -80.28 120.32 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 78.9 t80 -153.51 145.36 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 9.7 t-20 56.77 39.89 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.43 27.66 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' HE2' ' A' ' 57' ' ' LYS . 52.4 mt-10 -147.55 131.61 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -87.18 115.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD13 ' A' ' 104' ' ' LEU . 3.3 mptp? -88.04 147.16 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 72.9 m-70 -122.46 103.48 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mt -101.21 148.81 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.89 147.7 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' A' ' 76' ' ' ILE . 59.0 t -107.93 119.3 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -84.67 111.41 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' A' ' 74' ' ' ILE . 2.7 tt0 -108.24 102.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -147.96 149.75 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 87.6 m-20 57.2 42.33 25.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 54.14 31.06 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 29.6 m95 -127.38 154.77 44.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CG1' ' HG3' ' A' ' 69' ' ' GLU . 10.0 mt -131.43 124.49 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -162.61 179.37 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 77' ' ' THR . 38.1 pt -136.84 146.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.2 t 44.38 25.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 44.78 48.95 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -96.09 -46.16 6.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -154.67 134.44 12.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 138.34 31.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -127.61 151.35 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.8 -23.73 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.0 m -172.3 178.75 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -62.43 -51.0 69.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.4 tp -41.65 -50.13 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.22 -46.39 82.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.3 tt -57.21 -53.08 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 23.4 t -57.14 -49.35 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.19 -24.07 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.435 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 22.8 t80 -69.42 -53.55 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 76' ' ' ILE . 22.1 m-85 -72.68 -25.64 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' CG ' HD12 ' A' ' 108' ' ' LEU . 10.5 mt-30 -49.62 -24.28 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.6 -32.27 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.02 130.2 44.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.4 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.2 t -54.24 159.64 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 104' ' ' LEU . 7.0 mt -92.72 6.45 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -60.59 -31.88 71.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.12 -50.03 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.49 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.4 t -82.2 -46.58 13.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 46.1 m-85 -125.61 100.16 6.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -51.88 -28.49 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -73.91 -25.98 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 HD13 ' A' ' 97' ' ' LEU . 3.4 tp -106.07 92.2 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.27 80.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.2 t -154.3 173.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' LEU . 74.4 p -135.02 131.19 36.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -98.05 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.92 148.49 40.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 39' ' ' THR . 53.8 Cg_endo -69.73 -175.95 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CE2' ' HA2' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -82.83 -177.1 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t -96.85 -75.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.573 ' HA2' ' CE2' ' A' ' 112' ' ' TYR . . . 139.64 -169.17 24.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.55 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.7 p -108.38 93.07 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.0 m -67.75 101.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -115.02 -50.64 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.892 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m 43.86 42.03 4.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.7 44.48 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -69.1 148.85 49.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -70.6 -55.88 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.73 115.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.559 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -155.87 133.75 11.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -93.16 132.52 37.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -81.77 161.85 23.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.727 HG21 HD22 ' A' ' 86' ' ' LEU . 71.2 mt -45.64 140.38 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.89 97.3 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -79.15 -21.8 45.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.945 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 79.2 p -77.82 2.76 16.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.58 -28.47 19.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.658 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 65.6 m-85 -75.83 149.11 82.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -26.69 27.49 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.6 p-90 -82.15 14.5 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.945 ' CZ ' HG22 ' A' ' 14' ' ' THR . 14.0 t80 -90.34 129.33 36.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.79 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.74 -59.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 81.9 109.0 0.39 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 3.9 p-10 33.7 54.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.5 tpp -76.9 151.37 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.7 mm-40 -82.72 117.06 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -40.92 -28.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -82.5 -48.26 11.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.684 ' O ' HD23 ' A' ' 31' ' ' LEU . 5.3 tm0? -64.39 -19.11 65.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.721 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.6 m -79.83 -44.99 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 t0 -80.14 -11.3 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -88.92 -35.32 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 27' ' ' GLN . 1.7 pp -89.77 -37.02 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD11 HD23 ' A' ' 41' ' ' LEU . 23.5 mt -65.92 -41.75 90.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.2 -24.97 12.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -84.91 -29.68 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -68.07 -178.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.29 -174.96 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 p -86.04 29.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.34 13.25 2.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 111' ' ' PRO . 17.6 m -90.79 122.84 33.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.607 ' CD2' HD13 ' A' ' 108' ' ' LEU . 22.4 p90 -120.18 165.37 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -164.38 158.66 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -127.97 117.76 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -116.6 174.86 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -119.04 118.63 31.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 9.0 mtp-105 -89.97 143.65 30.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.618 2.212 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -171.81 153.78 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.93 -39.81 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.18 -64.63 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 10.9 mp0 -67.94 96.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 15.0 mmt85 -114.49 27.46 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 36.6 m-85 -164.23 147.45 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.8 141.12 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.622 HG22 HD11 ' A' ' 56' ' ' ILE . 20.8 mt -111.11 122.22 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 124.46 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -134.54 143.81 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -88.19 116.56 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -155.12 130.71 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.34 40.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 50.19 33.5 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -149.39 133.01 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 29' ' ' ASP . 59.7 t -86.79 106.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -89.16 130.26 35.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.34 114.39 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.09 107.09 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -71.2 112.48 7.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 76' ' ' ILE . 77.5 t -76.58 110.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG12 ' NE2' ' A' ' 75' ' ' HIS . 66.9 t -80.18 138.07 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.51 102.84 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -130.73 149.92 52.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.4 m-20 58.13 33.52 23.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.55 27.62 16.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 30.7 m95 -129.03 166.8 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -113.14 140.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' NE2' HG12 ' A' ' 68' ' ' VAL . 5.3 p80 -167.1 168.03 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 77' ' ' THR . 24.8 pt -140.39 144.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 76' ' ' ILE . 12.6 t 46.51 25.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 41.99 45.31 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 77' ' ' THR . . . -116.12 -36.59 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.1 134.16 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.33 162.73 17.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.67 162.73 33.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -51.76 -31.88 28.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.714 ' HA ' HD13 ' A' ' 74' ' ' ILE . 26.5 p -163.49 -178.77 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 tp -73.06 -24.99 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.727 HD22 HG21 ' A' ' 11' ' ' ILE . 37.4 tp -68.93 -51.61 38.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -35.25 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 ' HE2' ' A' ' 92' ' ' TYR . 6.6 tt -60.6 -41.3 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.4 t -70.8 -41.94 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.35 -26.88 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 28.0 t80 -74.2 -39.92 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.446 ' HE2' HD21 ' A' ' 88' ' ' LEU . 25.1 m-85 -81.19 -24.68 37.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -56.32 -22.24 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.16 -28.37 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -106.37 148.03 28.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -72.65 149.68 43.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.09 0.41 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.14 -32.91 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -45.88 -42.76 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 m -92.63 -54.9 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -110.14 99.57 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.09 14.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -85.23 -18.22 34.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.1 tp -112.01 109.56 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.69 89.02 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 t -152.11 158.03 42.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 109' ' ' LYS . 26.6 p -128.74 131.5 47.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.678 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -46.54 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' THR . 10.2 mtmm -83.73 -69.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -115.92 148.32 41.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.71 -168.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -95.52 -174.83 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -68.02 72.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.38 160.27 53.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 127.56 14.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.769 2.313 . . . . 0.0 112.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.8 p -101.83 165.08 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.1 m -116.01 122.95 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -93.76 122.02 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.811 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -134.73 139.91 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.77 -177.27 37.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -41.27 129.85 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 p -109.81 83.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.41 -129.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t 38.61 39.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -81.41 110.66 17.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' ILE . 23.1 tt0 -104.13 162.28 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.7 HG21 HD22 ' A' ' 86' ' ' LEU . 86.8 mt -34.62 130.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -85.23 104.29 14.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -82.77 -27.27 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.826 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 82.4 p -75.58 5.43 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.51 -25.8 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.058 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 71.1 m-85 -78.25 150.48 77.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.97 26.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.597 2.198 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.9 p-90 -81.95 13.27 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.826 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.6 t80 -86.19 124.39 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 1.014 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -88.07 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 83.51 106.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.4 p-10 33.74 55.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.51 ' CE ' HD21 ' A' ' 31' ' ' LEU . 3.3 tpp -83.81 152.47 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 23' ' ' MET . 5.8 mm-40 -96.75 123.92 40.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLU . 37.6 mtm180 -35.23 -68.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -44.63 -59.67 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -48.69 -32.19 8.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.521 HG23 HD21 ' A' ' 41' ' ' LEU . 3.1 m -73.29 -43.46 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.52 -11.73 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -88.88 -34.66 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.2 pp -90.87 -34.15 15.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 HD12 HG22 ' A' ' 28' ' ' THR . 19.4 mt -71.21 -43.05 68.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -46.26 -33.39 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -82.67 -26.59 31.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.6 m-70 -65.86 179.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.85 -176.16 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -87.62 31.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.7 8.22 1.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 111' ' ' PRO . 36.7 m -86.58 124.59 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 108' ' ' LEU . 20.6 p90 -125.43 165.92 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.014 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -163.19 161.53 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.4 mp -126.42 111.63 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 4.2 ptm180 -105.12 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -127.39 103.78 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -95.64 125.78 47.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 105.44 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -126.73 171.85 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.05 -40.32 63.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.38 -72.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 5.7 pt-20 -53.79 113.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.4 tpp180 -114.57 45.76 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 37.2 m-85 -162.39 148.69 13.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -148.73 161.23 42.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.673 HG22 HD11 ' A' ' 56' ' ' ILE . 10.9 mt -135.45 132.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -123.6 125.55 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.673 HD11 HG22 ' A' ' 54' ' ' ILE . 3.2 mp -134.05 134.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -84.27 112.57 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 56.2 t80 -150.15 141.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 57.72 52.78 7.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 42.47 34.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -152.64 134.56 14.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.61 104.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -83.77 136.97 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -115.01 129.02 56.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.59 143.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 1.1 mtmp? -103.16 103.05 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.649 ' HA ' HG22 ' A' ' 76' ' ' ILE . 47.9 t -70.84 98.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' NE2' ' A' ' 75' ' ' HIS . 79.5 t -75.84 137.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.15 103.2 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 71' ' ' ASP . 15.8 ttmm -128.21 149.97 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 12.2 t70 56.89 34.76 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 92.3 m-20 60.89 32.75 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 28.7 m95 -137.27 151.73 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -97.1 141.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.567 ' NE2' HG12 ' A' ' 68' ' ' VAL . 4.8 p80 -169.26 165.1 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 67' ' ' VAL . 45.1 pt -139.38 145.59 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.541 HG21 ' OG ' ' A' ' 100' ' ' SER . 13.3 t 42.69 25.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 40.73 48.44 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -115.3 -48.75 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -144.46 107.9 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -89.13 159.03 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 48.9 m-85 -136.19 159.53 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.18 -36.81 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' ILE . 1.9 m -157.78 173.72 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.3 tp -63.83 -37.15 86.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 HG21 ' A' ' 11' ' ' ILE . 25.3 tp -54.09 -54.37 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -57.75 -50.97 71.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -46.14 -33.1 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 108' ' ' LEU . 67.1 t -79.67 -49.62 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.6 -25.12 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.499 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 68.0 t80 -70.59 -50.79 33.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE1' HD23 ' A' ' 97' ' ' LEU . 26.6 m-85 -73.94 -21.29 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.91 -23.09 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.22 -25.25 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -106.29 132.99 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 107' ' ' THR . 41.7 t -53.78 156.85 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 104' ' ' LEU . 6.0 mt -88.25 3.52 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 99' ' ' GLU . 15.9 pttp -58.88 -39.83 82.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' LYS . 19.5 mt-10 -36.26 -47.53 0.59 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 77' ' ' THR . 29.8 t -98.04 -46.11 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.456 ' CB ' ' HB3' ' A' ' 104' ' ' LEU . 79.5 m-85 -114.26 83.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -44.09 -60.21 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.54 -32.25 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 97' ' ' LEU . 3.2 tp -95.33 90.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 17.5 t70 -105.14 97.44 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 5.3 t -167.45 153.49 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 96' ' ' SER . 70.7 p -120.84 141.45 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 40' ' ' TYR . 8.8 mt -53.21 99.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -91.97 -72.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -112.9 149.67 41.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.751 0.786 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 53.0 Cg_endo -69.74 -166.42 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 0.0 112.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.9 -178.6 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m -78.62 95.6 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.93 -166.59 33.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' SER . 53.4 Cg_endo -69.75 -6.72 19.28 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.773 2.316 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' PRO . 1.3 t -36.46 97.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' PRO . 40.6 t -127.89 144.31 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -44.15 128.28 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -119.67 -58.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.33 -122.65 6.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -120.33 165.77 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.952 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -148.08 149.13 31.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.35 70.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.438 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.8 p -79.91 126.72 31.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -129.11 84.97 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -103.63 164.42 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' CB ' ' A' ' 86' ' ' LEU . 89.5 mt -46.13 127.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.08 91.37 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 7.8 m-85 -70.0 -36.7 75.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.879 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 69.4 p -66.74 -3.68 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.7 -21.66 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.695 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 88.0 m-85 -87.02 150.47 49.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -29.47 24.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CE3' HD13 ' A' ' 42' ' ' ILE . 10.9 p-90 -79.01 11.98 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.879 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.5 t80 -83.43 134.26 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -125.54 -16.09 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 34.44 -138.39 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -61.46 76.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.556 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.0 tpp -100.12 150.87 22.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.1 mt-10 -79.93 128.74 33.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.11 -22.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -85.77 -41.38 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -47.19 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.905 HG23 HD21 ' A' ' 41' ' ' LEU . 33.5 m -52.91 -53.03 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.2 t70 -74.28 -30.12 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -69.19 -32.88 72.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 23' ' ' MET . 4.0 pp -93.2 -42.57 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 28' ' ' THR . 24.2 mt -61.87 -49.66 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -41.85 -41.48 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -74.94 -41.65 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.762 ' CD2' HG21 ' A' ' 39' ' ' THR . 5.5 m-70 -54.4 179.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.0 -175.97 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 m -83.41 19.93 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.92 -4.46 5.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 111' ' ' PRO . 55.2 m -76.76 124.53 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.629 ' CD2' HD13 ' A' ' 108' ' ' LEU . 23.5 p90 -125.16 171.92 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.905 HD21 HG23 ' A' ' 28' ' ' THR . 1.4 pp -171.49 157.98 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.6 mp -119.89 112.86 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.98 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -139.89 132.94 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 14.7 mtp-105 -127.37 112.57 21.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.756 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.74 119.33 6.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.4 160.16 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -43.48 -30.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 -174.55 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -37.52 148.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -116.89 42.62 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 13.6 m-85 -159.06 146.12 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.16 149.83 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 56' ' ' ILE . 18.3 mt -120.15 126.69 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 64' ' ' HIS . 30.9 m -117.16 116.49 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.779 HD11 HG22 ' A' ' 54' ' ' ILE . 1.3 mp -129.48 138.47 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -80.66 124.91 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 106' ' ' THR . 27.2 t80 -159.16 142.94 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.8 31.72 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.03 30.02 19.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -144.12 131.04 20.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 32' ' ' LEU . 46.3 t -81.81 109.35 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -89.97 157.54 17.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' CE1' ' OG ' ' A' ' 55' ' ' SER . 76.4 m-70 -139.83 113.09 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -99.67 151.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -106.52 103.34 12.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' HG22 ' A' ' 76' ' ' ILE . 85.9 t -72.04 94.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.418 HG12 ' NE2' ' A' ' 75' ' ' HIS . 70.8 t -63.51 139.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -133.29 106.86 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -137.18 147.54 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.88 25.76 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 69.36 34.1 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 24.9 m95 -136.64 148.17 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.3 mp -100.87 144.98 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 68' ' ' VAL . 7.9 p80 -172.83 172.71 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLU . 45.5 pt -143.46 153.63 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 32.02 35.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.5 mt-10 34.66 50.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -110.88 -51.54 2.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -141.18 131.31 24.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -100.34 160.81 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.404 ' HZ ' ' CD2' ' A' ' 91' ' ' TYR . 52.6 m-85 -144.73 158.93 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.71 -27.49 40.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.512 ' HA ' HD13 ' A' ' 74' ' ' ILE . 2.2 m -174.97 -175.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 42' ' ' ILE . 46.0 tp -63.21 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.667 ' CB ' HD13 ' A' ' 11' ' ' ILE . 62.3 tp -46.79 -55.9 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.53 -52.49 59.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 88' ' ' LEU . 3.7 tt -47.57 -42.78 24.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -69.33 -58.11 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.24 -26.9 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.432 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 20.5 t80 -69.87 -48.12 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.47 -18.68 56.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.16 -21.77 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.4 t -125.36 -26.2 3.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.467 ' C ' HG22 ' A' ' 107' ' ' THR . 1.2 m170 -104.67 131.39 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -56.22 152.9 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.16 10.45 8.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -65.42 -32.98 74.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -48.88 -48.29 42.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.3 m -84.74 -51.46 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -117.66 100.15 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -55.31 -21.8 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.99 -23.54 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.86 101.88 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.23 94.02 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 58' ' ' PHE . 13.8 t -166.54 166.92 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 95' ' ' HIS . 32.6 p -132.97 131.52 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 40' ' ' TYR . 13.4 mt -40.8 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.02 -74.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.18 149.84 41.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.61 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.396 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -90.49 177.06 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.1 p -65.4 79.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -65.79 167.68 33.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 125.07 11.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t -131.74 -45.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -64.56 93.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -78.29 115.49 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -72.72 -57.07 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 128.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 m -76.39 -46.78 25.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.942 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -48.66 166.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.49 112.08 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.9 p -167.13 177.81 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' C ' ' OE2' ' A' ' 10' ' ' GLU . 15.7 mmm180 -107.3 126.97 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' OE2' ' C ' ' A' ' 9' ' ' ARG . 1.4 mp0 -110.43 168.14 9.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.728 HG21 HD22 ' A' ' 86' ' ' LEU . 43.1 mt -63.07 135.69 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -95.74 104.05 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.54 -32.37 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.777 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 54.0 p -68.98 -1.2 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 -25.7 24.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 m-85 -80.32 150.37 70.7 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.653 0.739 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.83 21.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.609 2.206 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.639 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.5 p-90 -75.64 6.33 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.777 ' CZ ' HG22 ' A' ' 14' ' ' THR . 25.4 t80 -78.63 130.23 35.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -92.71 -62.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 79.49 101.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' GLY . 16.6 t-20 34.29 52.99 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.72 ' HE3' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -84.91 151.5 24.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 25.4 mt-10 -88.18 119.79 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLU . 45.9 ttp180 -37.58 -58.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 18.4 tp60 -47.46 -41.28 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.685 ' O ' HD23 ' A' ' 31' ' ' LEU . 16.3 mt-30 -72.17 -29.28 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.723 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.8 m -76.62 -38.22 55.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.685 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.7 t0 -83.57 -18.53 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 27.6 m-20 -80.84 -31.64 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD21 ' HE3' ' A' ' 23' ' ' MET . 3.9 pp -92.77 -39.04 11.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' HIS . 19.2 mt -64.8 -52.23 57.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 16.5 pttp -41.0 -38.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -80.93 -29.17 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.5 m-70 -61.33 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -89.94 24.91 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.01 1.49 2.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 HG22 ' CD2' ' A' ' 32' ' ' LEU . 45.8 m -73.4 117.46 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -120.18 167.14 12.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 20' ' ' ALA . 2.0 pp -170.62 164.27 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.7 mp -132.96 110.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.206 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 27.7 ptt85 -102.95 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -110.3 104.5 13.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -98.0 122.36 54.74 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 97.41 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -122.94 -177.54 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.93 -44.06 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.29 10.55 29.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 17.0 mt-10 -132.96 160.27 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -131.51 -46.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.812 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -121.93 174.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.23 144.85 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 56' ' ' ILE . 13.7 mt -118.34 132.92 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -130.2 134.57 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.759 HD11 HG22 ' A' ' 54' ' ' ILE . 3.1 mp -140.28 138.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 33' ' ' LYS . 42.5 tptt -86.22 104.63 15.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 68.3 t80 -150.76 135.77 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.91 41.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 45.6 35.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 21.6 mt-10 -154.66 131.34 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.685 HG21 ' HA ' ' A' ' 29' ' ' ASP . 55.1 t -82.5 111.72 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.666 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.2 mptt -89.46 129.89 35.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.07 113.87 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.74 148.59 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD3' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -105.18 151.07 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.86 102.2 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.85 136.9 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -130.72 104.52 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -144.38 148.77 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 73' ' ' TRP . 20.2 m-20 55.14 25.93 7.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 71.9 26.35 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 9.5 m95 -117.27 164.22 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -142.34 115.54 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.9 -179.39 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 77' ' ' THR . 13.5 pt -137.83 139.76 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 44.67 25.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 51.28 46.16 26.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.01 -46.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -157.54 137.37 12.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 168.44 9.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 51.9 m-85 -147.39 169.99 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.93 -33.03 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -162.42 170.55 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.812 HD22 ' CD2' ' A' ' 52' ' ' PHE . 31.2 tp -58.32 -25.65 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 11' ' ' ILE . 57.2 tp -70.1 -47.58 61.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.24 -44.84 88.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.0 tt -58.46 -37.79 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 85' ' ' LEU . 63.7 t -72.35 -49.76 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.88 -28.45 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 46.8 t80 -67.14 -51.45 53.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -74.07 -23.22 59.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.715 ' HG3' HD12 ' A' ' 108' ' ' LEU . 11.5 mt-30 -52.02 -23.67 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -123.01 -31.48 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.502 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.28 127.43 44.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.467 ' HA ' HG23 ' A' ' 107' ' ' THR . 33.8 t -51.01 141.22 14.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.53 -6.82 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -47.29 -34.63 6.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -43.21 -53.89 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.458 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.3 t -78.45 -49.48 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.458 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 26.2 m-85 -123.77 97.14 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.99 -34.49 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -64.23 -31.66 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.1 tp -97.45 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -122.7 94.91 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 6.6 t -168.77 152.32 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -123.88 130.78 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.0 mt -34.41 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -97.67 -74.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -115.44 148.91 41.93 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.611 0.719 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.66 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.563 ' CE2' ' HA2' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.83 -175.42 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t -98.35 -74.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 112' ' ' TYR . . . 161.58 178.9 35.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.43 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.8 p -120.84 132.66 55.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t -92.97 152.53 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.502 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -136.72 170.51 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -158.71 177.5 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.81 108.34 0.73 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.424 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -93.04 92.96 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -115.42 161.55 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 83.27 0.64 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -75.18 98.86 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -88.83 43.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -88.1 166.02 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt -68.27 139.67 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 36.1 t0 -89.42 105.51 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 85' ' ' LEU . 7.6 m-85 -84.32 -20.95 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.695 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 18.7 p -77.11 1.45 18.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.82 -19.94 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.668 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 80.7 m-85 -84.21 149.15 54.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -29.44 24.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.668 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.8 p-90 -78.02 9.08 3.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.695 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.0 OUTLIER -100.29 128.07 46.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.88 -34.9 6.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 -136.42 13.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -74.16 68.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 1.9 tpp -91.69 151.81 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 23' ' ' MET . 36.8 mt-10 -89.51 146.0 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.18 -20.88 57.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.45 -52.19 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' HD23 ' A' ' 31' ' ' LEU . 14.8 tt0 -57.17 -24.83 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.793 HG23 HD21 ' A' ' 41' ' ' LEU . 2.9 m -82.2 -38.19 24.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -80.75 -11.73 59.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -94.66 -30.48 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -89.99 -38.76 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.5 mt -64.15 -50.61 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.81 -24.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . 32.2 t -84.55 -37.19 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 39' ' ' THR . 13.2 m-70 -61.67 -176.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -176.36 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 m -84.93 31.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.53 6.12 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.4 m -84.06 133.21 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -133.48 169.09 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.793 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -171.01 159.06 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.529 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -123.73 109.8 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -106.46 170.11 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -130.31 147.48 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.602 HH21 ' HB2' ' A' ' 53' ' ' ALA . 66.2 mtm180 -123.57 123.47 26.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.688 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.13 14.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 55.12 48.36 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -167.1 135.28 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.59 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . 3.7 pt-20 -41.45 -50.96 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 9.1 ptt-85 47.9 40.73 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 51' ' ' ARG . 14.5 m-85 -158.88 138.23 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB2' HH21 ' A' ' 45' ' ' ARG . . . -152.07 152.34 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.077 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.903 HG22 HD11 ' A' ' 56' ' ' ILE . 28.4 mt -119.89 132.97 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -119.39 124.03 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.903 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.1 137.31 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -84.08 125.63 32.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 58.4 t80 -156.89 145.5 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.517 ' OD1' ' CE2' ' A' ' 58' ' ' PHE . 5.3 m120 45.93 54.61 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 43.57 30.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -142.22 143.59 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.6 t -102.9 106.3 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.876 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -83.24 158.32 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -132.46 110.77 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.4 mt -105.73 156.6 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.935 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -115.49 152.85 32.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 74' ' ' ILE . 3.5 t -128.83 90.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.505 ' HA ' ' CB ' ' A' ' 50' ' ' GLU . 2.2 p -76.77 162.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.38 103.56 7.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -129.65 149.75 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.568 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.9 m-20 49.03 44.83 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.1 t-20 54.61 29.04 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.7 m95 -130.32 174.75 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 84' ' ' SER . 4.0 mt -136.55 124.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -139.23 171.05 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.935 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.0 pt -131.6 131.71 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 45.07 38.79 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 46.16 35.91 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.25 -72.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -125.92 131.42 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -95.53 162.67 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ILE . 37.7 m-85 -152.53 170.49 20.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -35.9 64.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.729 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.6 m -156.4 -179.43 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.7 tp -71.02 -43.06 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.23 -46.23 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -52.74 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.2 tt -48.83 -31.9 7.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 108' ' ' LEU . 65.1 t -78.08 -46.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.72 -25.25 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 6.4 t80 -73.61 -48.65 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 76' ' ' ILE . 19.4 m-85 -76.21 -18.32 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.32 -24.94 63.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.37 -24.06 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.9 m170 -103.92 132.11 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 107' ' ' THR . 6.0 t -56.78 148.32 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.2 6.67 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.82 -32.06 73.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -44.24 -39.13 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -101.94 -42.2 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -120.68 86.36 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -41.86 -51.3 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -50.95 -34.37 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.876 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.2 tp -97.01 111.96 23.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.66 82.39 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.56 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.2 t -151.41 161.06 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 96' ' ' SER . 72.9 p -128.66 140.71 51.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.612 ' CD1' HG13 ' A' ' 89' ' ' VAL . 13.4 mt -52.01 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -94.16 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -117.43 150.28 46.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 39' ' ' THR . 54.4 Cg_endo -69.8 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -102.89 -175.02 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -70.99 86.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.82 175.49 6.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 119.13 6.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.3 p -39.7 -54.51 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.5 t -108.58 117.72 34.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.6 t -37.09 148.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -38.94 -53.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.35 -113.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.538 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -89.1 174.61 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -89.1 83.52 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.63 159.86 53.82 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -60.46 -56.86 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -147.81 122.3 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -112.75 158.15 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 86' ' ' LEU . 78.7 mt -70.77 131.54 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.71 90.87 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -69.08 -30.4 68.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 14.2 p -69.53 -1.13 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.78 -24.0 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 73.5 m-85 -81.09 148.63 64.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.7 0.762 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.13 25.82 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.7 p-90 -79.23 11.16 3.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.9 t80 -97.75 130.19 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -113.54 -37.98 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.0 -137.82 21.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -71.37 68.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 6.3 ttm -99.94 157.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' MET . 34.8 mt-10 -101.16 144.41 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLN . 37.5 mtm180 -51.58 -56.3 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . 43.9 tt0 -37.93 -60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -59.53 -38.75 81.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.807 HG23 HD21 ' A' ' 41' ' ' LEU . 3.4 m -57.74 -47.51 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.766 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.9 t0 -77.57 -27.5 51.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.49 -31.03 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.08 -31.7 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' HIS . 25.5 mt -75.7 -51.06 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -38.21 -42.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -71.3 -37.03 71.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.7 m-70 -61.56 -179.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.4 -175.24 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.4 p -83.94 18.43 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.17 -1.6 6.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -76.16 126.14 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.675 ' HB3' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -126.61 166.15 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -165.62 158.78 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -122.23 109.93 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 5.5 ptm180 -106.89 172.01 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -101.37 150.28 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -124.29 137.2 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.41 1.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.38 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -174.5 155.97 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -50.36 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.76 -46.2 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 26.6 tt0 -65.4 81.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -113.81 28.05 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -149.48 146.34 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -151.62 140.32 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 56' ' ' ILE . 33.5 mt -113.82 122.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 64' ' ' HIS . 28.4 t -118.61 126.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -135.81 143.08 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -80.55 111.29 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 58.0 t80 -151.99 140.01 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 72.78 34.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 56.71 25.81 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -151.24 149.6 29.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 ' HA ' ' A' ' 29' ' ' ASP . 54.2 t -81.21 117.78 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 3.8 mmmt -107.92 153.99 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 56.8 m-70 -132.09 150.31 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.9 110.88 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 146.04 54.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -118.62 138.0 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.2 140.21 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -130.58 102.59 6.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -145.06 150.09 36.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 73' ' ' TRP . 14.0 m-20 57.06 29.47 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.3 t30 65.53 32.19 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 24.9 m95 -128.92 153.81 47.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 85' ' ' LEU . 4.7 mt -125.88 124.54 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -154.51 179.03 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 78' ' ' GLU . 6.8 pt -138.8 152.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' THR . 6.8 t 30.66 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' ILE . 6.5 tt0 37.65 49.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -103.2 -49.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 135.08 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -95.79 161.86 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 39.1 m-85 -148.63 158.03 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -53.29 -31.46 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -171.26 -177.57 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 42' ' ' ILE . 58.6 tp -64.98 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.495 ' CB ' HD13 ' A' ' 11' ' ' ILE . 58.6 tp -64.71 -49.39 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.11 -42.44 99.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -57.75 -39.95 78.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 108' ' ' LEU . 28.1 t -72.5 -47.17 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.65 -23.18 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 16.0 t80 -75.61 -50.04 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.5 m-85 -74.72 -21.81 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -54.97 -24.79 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 59.5 m -123.43 -28.17 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.485 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.3 m170 -100.68 134.91 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -59.11 155.67 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -91.07 6.95 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -60.29 -41.36 93.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.49 -44.05 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 m -81.18 -47.46 13.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -126.15 104.85 8.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.16 -21.44 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.94 -20.16 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 2.0 tp -111.89 105.82 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 4.7 m-20 -121.0 94.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -165.37 169.45 15.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.446 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.6 p -134.1 131.94 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.617 HD13 ' CE2' ' A' ' 40' ' ' TYR . 7.6 mt -44.41 104.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 29.2 mttt -94.35 -74.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 5.2 m-85 -113.47 147.45 37.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -171.31 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -83.23 99.7 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.89 145.66 38.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.45 8.08 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.0 p -126.41 172.68 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -83.99 34.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -104.57 -49.05 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t 64.93 41.48 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.42 161.94 37.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -160.38 147.86 16.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.78 -31.75 0.51 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 t -64.14 -29.15 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.16 35.01 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.547 ' OE2' HD12 ' A' ' 11' ' ' ILE . 17.7 tp10 -75.0 153.5 38.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 11' ' ' ILE . 4.9 mp -43.31 118.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.5 92.94 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.18 -25.52 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 p -73.03 0.99 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.64 -28.72 19.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 67.3 m-85 -76.83 149.12 80.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.64 27.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.7 p-90 -82.05 14.07 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.6 t80 -89.41 127.32 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -103.58 -47.85 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 -149.18 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.78 54.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.8 158.81 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -79.63 131.72 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -50.83 -50.62 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.12 -49.91 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -58.92 -46.19 88.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.691 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.5 m -61.95 -48.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.87 ' HA ' HG11 ' A' ' 62' ' ' VAL . 36.1 t0 -63.37 -27.89 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -81.74 -65.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.91 -38.57 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HG13 ' A' ' 62' ' ' VAL . 8.7 mt -58.36 -33.89 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 37.4 mtpt -61.22 -44.83 96.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -66.75 -2.96 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.29 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.04 -178.33 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.8 p -85.69 15.43 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.62 -2.12 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.6 m -73.72 125.93 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 108' ' ' LEU . 16.3 p90 -127.1 169.06 13.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.5 pp -169.21 164.41 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.701 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -127.26 115.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.35 168.11 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -118.31 102.98 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -89.86 135.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 110.44 2.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -174.54 137.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -43.0 -69.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -61.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.681 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 5.7 mp0 -74.46 79.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -124.22 160.16 28.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.15 160.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 56' ' ' ILE . 2.8 mt -119.04 144.45 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.3 m -137.81 117.68 13.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.9 mp -131.93 145.32 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 41.9 tptt -89.0 106.96 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 23.5 t80 -150.87 140.63 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 33.9 t30 66.53 33.58 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 53.5 27.79 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -145.82 132.22 19.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.87 HG11 ' HA ' ' A' ' 29' ' ' ASP . 76.1 t -81.8 109.57 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 27.2 mmtt -92.91 149.31 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 66' ' ' LYS . 73.2 mt -87.13 156.21 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -108.59 128.48 54.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -104.48 102.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 127.93 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.2 103.87 9.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -145.31 149.24 34.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.1 37.22 28.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.408 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 9.7 t-20 59.63 34.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.8 m95 -128.35 160.39 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 mt -138.07 125.41 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.1 p80 -167.72 -175.09 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.0 pt -137.64 154.77 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' ALA . 7.0 t 31.86 36.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ILE . 21.8 mt-10 34.33 49.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.63 -33.42 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -163.57 127.08 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -83.42 141.79 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 28.5 m-85 -128.86 156.44 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.96 -29.88 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -166.09 -178.83 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.3 tp -68.43 -29.01 67.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 11' ' ' ILE . 19.8 tp -62.5 -48.43 79.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.2 tt -62.03 -37.0 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 85' ' ' LEU . 57.4 t -78.51 -46.0 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.81 -23.42 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 11.2 t80 -72.43 -49.9 30.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.4 m-85 -75.89 -19.65 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HG3' HD12 ' A' ' 108' ' ' LEU . 30.1 mt-30 -57.78 -23.2 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 41.4 t -124.06 -26.87 3.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.488 ' C ' HG22 ' A' ' 107' ' ' THR . 1.1 m170 -103.19 131.19 50.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.5 ' HA ' HG23 ' A' ' 107' ' ' THR . 13.1 t -54.11 148.03 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 92' ' ' TYR . 13.6 mt -78.13 -7.04 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.2 pttp -45.24 -44.62 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 7.2 mm-40 -38.0 -50.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 m -76.27 -56.37 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -118.16 107.59 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -56.42 -18.84 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -86.75 -17.99 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp -108.05 106.15 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -119.29 94.39 4.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 t -168.57 158.83 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 96' ' ' SER . 21.4 p -128.06 130.74 48.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.7 mt -39.65 102.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -92.41 -74.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -115.19 151.7 46.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.642 0.734 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.827 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.78 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.9 p90 -105.4 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' TYR . 1.6 t -34.49 -62.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.01 -162.02 46.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 90.4 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -73.75 111.06 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -103.53 34.6 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t 56.39 42.3 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -98.83 122.09 41.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.88 103.17 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -109.71 165.68 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -135.17 124.62 24.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.65 107.3 3.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -53.46 -45.59 69.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -104.41 85.49 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -114.06 161.12 18.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt -79.66 131.42 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.755 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 26.0 t0 -89.78 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -74.48 -28.37 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.787 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.8 p -75.34 4.12 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -91.57 -25.09 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.9 m-85 -82.04 150.48 65.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.749 0.785 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -29.4 24.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.667 ' CE3' HD13 ' A' ' 42' ' ' ILE . 11.2 p-90 -78.58 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CZ ' HG22 ' A' ' 14' ' ' THR . 20.0 t80 -82.56 130.41 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -92.58 -52.13 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.601 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 74.31 92.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.522 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 47.09 49.16 15.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.801 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -80.09 152.05 29.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 23' ' ' MET . 1.3 pt-20 -97.07 119.29 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' GLU . 27.7 ttm180 -34.2 -44.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -53.92 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -55.46 -35.05 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 1.045 HG23 HD21 ' A' ' 41' ' ' LEU . 4.2 m -64.76 -49.75 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.48 -16.51 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.97 -28.61 17.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 0.6 OUTLIER -92.46 -40.42 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 20.4 mt -66.07 -49.53 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.54 -36.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -78.32 -41.57 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.04 177.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.42 -174.94 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.3 m -88.7 26.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.08 1.26 2.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 111' ' ' PRO . 82.0 m -80.51 113.98 19.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.624 ' HB3' HG23 ' A' ' 56' ' ' ILE . 28.9 p90 -113.48 158.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.045 HD21 HG23 ' A' ' 28' ' ' THR . 1.3 pp -155.14 163.47 40.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.667 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.1 mp -133.71 115.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.704 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -101.45 169.68 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -115.23 108.21 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mmp_? -91.79 107.29 21.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 45' ' ' ARG . 53.0 Cg_endo -69.87 109.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -174.17 177.78 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -80.48 -72.1 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.91 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -94.26 126.62 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -115.39 -55.4 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -109.78 158.97 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.91 156.51 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.624 HD11 HD22 ' A' ' 88' ' ' LEU . 14.0 mt -122.65 144.42 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.445 ' OG ' ' NE ' ' A' ' 43' ' ' ARG . 1.5 m -137.88 117.68 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -125.83 169.17 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 56' ' ' ILE . 18.3 tptm -115.91 112.71 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -142.85 150.34 39.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 54.5 35.32 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 59.61 31.08 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -142.67 158.41 43.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 t -107.99 106.81 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.78 149.7 22.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 72.9 m-70 -123.94 127.94 48.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.8 mt -113.64 107.95 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 76' ' ' ILE . 5.6 pttp -72.01 141.74 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 74' ' ' ILE . 44.5 t -105.24 131.88 53.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -108.06 134.22 50.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -116.03 106.01 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -140.18 146.82 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 75.2 m-20 56.97 38.93 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 79.5 m-20 56.72 39.06 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 39.7 m95 -143.52 162.04 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 84' ' ' SER . 5.2 mt -123.14 127.41 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.36 169.0 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 77' ' ' THR . 33.8 pt -129.15 133.44 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.5 t 46.45 24.92 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 61.9 40.56 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.76 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 81' ' ' LYS . 7.9 tptp -143.03 144.93 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -103.74 142.85 33.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -133.56 159.21 41.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.75 -18.11 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.654 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.4 m -173.92 -179.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 HG21 ' A' ' 42' ' ' ILE . 18.2 tp -63.71 -52.91 58.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -41.53 -50.99 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.99 -45.84 68.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 54' ' ' ILE . 8.9 tt -58.32 -41.48 84.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 108' ' ' LEU . 87.4 t -68.46 -57.13 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -51.51 -33.22 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.483 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 36.1 t80 -65.81 -47.93 73.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.416 ' CD2' HD21 ' A' ' 97' ' ' LEU . 22.9 m-85 -76.83 -21.29 55.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 108' ' ' LEU . 2.7 mt-30 -56.51 -20.19 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.34 -30.06 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -101.25 133.04 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.421 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 31.7 t -58.54 153.31 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.5 mt -84.74 8.96 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.5 pttp -58.82 -40.93 85.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.0 mm-40 -49.03 -47.8 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 m -71.27 -45.47 63.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.4 117.8 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -11.03 11.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.38 -10.32 23.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -114.68 100.82 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.92 92.26 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.5 t -163.11 166.83 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 43.6 p -138.14 130.91 29.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.772 HD12 ' HG2' ' A' ' 93' ' ' GLN . 11.5 mt -41.54 105.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -95.25 -66.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.93 151.53 55.03 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.903 ' O ' HG23 ' A' ' 39' ' ' THR . 53.6 Cg_endo -69.82 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.631 2.22 . . . . 0.0 112.375 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 19' ' ' PHE . 1.6 p90 -99.66 -174.32 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -64.86 -172.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -153.62 173.77 32.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 97.78 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.8 m -156.05 119.02 4.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.0 m -97.51 109.87 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.42 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -43.09 -50.34 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -172.89 172.71 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.76 121.43 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 m -120.72 173.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -103.17 141.07 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 -69.81 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -71.61 160.68 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -102.03 149.78 23.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -114.82 152.78 31.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.529 HG21 HD22 ' A' ' 86' ' ' LEU . 22.3 mt -70.57 136.43 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.01 111.82 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -82.2 -30.94 30.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.734 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.5 p -72.28 2.37 6.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 -20.85 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.686 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.1 m-85 -84.77 149.31 53.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.69 25.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.686 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.1 p-90 -81.06 15.6 1.81 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.734 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.6 t80 -92.62 117.49 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -72.83 -66.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . 98.62 73.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 1.9 p-10 36.71 45.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.552 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.0 ptm -69.77 -176.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -87.9 141.59 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.29 -53.9 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 27' ' ' GLN . 10.3 pt20 -56.26 -41.12 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 12.8 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.748 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.7 m -63.05 -51.26 67.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.35 -14.02 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 51.4 m-20 -86.72 -32.21 20.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.5 pp -93.13 -33.49 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.6 mt -67.74 -49.76 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' SER . 13.3 pttm -41.09 -41.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 27.2 t -73.45 -39.95 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CD2' HG21 ' A' ' 39' ' ' THR . 17.6 m-70 -51.01 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.98 -177.01 6.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.0 p -86.74 34.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.52 13.73 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' PRO . 16.7 m -84.52 124.53 31.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -121.26 155.84 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.748 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.3 pp -154.63 160.9 41.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.444 HG21 HD21 ' A' ' 85' ' ' LEU . 2.6 mp -133.93 109.89 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 48.3 ptt85 -114.12 174.07 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.67 147.29 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -114.32 146.35 35.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.546 0.689 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 106.17 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.32 -178.86 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.08 -44.65 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.64 -60.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.54 84.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 8.2 mmm-85 -115.66 44.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 9.4 m-85 -165.34 130.16 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.94 131.59 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.475 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -101.22 123.24 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -116.2 124.56 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 mp -129.94 136.47 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -84.05 110.44 18.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -151.04 130.0 12.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 73.53 44.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 48.18 31.15 2.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.57 133.08 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.96 101.6 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.535 ' HE2' HD12 ' A' ' 104' ' ' LEU . 7.4 mptt -83.93 131.31 34.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -110.68 114.83 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 76' ' ' ILE . 5.0 mp -98.5 156.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 76' ' ' ILE . 7.2 ptmt -104.79 160.46 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.945 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 74' ' ' ILE . 85.5 t -134.98 96.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.439 HG11 ' CE1' ' A' ' 75' ' ' HIS . 7.6 p -80.87 157.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.55 102.93 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -138.06 149.95 46.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.25 24.99 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 70.24 31.53 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -128.79 173.28 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.525 HG23 HG13 ' A' ' 67' ' ' VAL . 2.9 mt -138.83 114.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.533 ' CD2' ' HD3' ' A' ' 81' ' ' LYS . 3.4 p80 -138.13 176.68 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 66' ' ' LYS . 33.3 pt -137.13 146.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 77' ' ' THR . 1.3 t 32.01 35.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.6 mt-10 44.0 50.98 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.15 -36.17 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -174.61 132.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.533 ' HD3' ' CD2' ' A' ' 75' ' ' HIS . 11.5 mmtt -91.08 137.28 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.1 m-85 -128.23 141.19 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 14.9 t0 -36.77 -37.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 m -165.49 -176.95 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 42' ' ' ILE . 46.5 tp -61.89 -54.87 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 11' ' ' ILE . 45.2 tp -39.8 -53.4 2.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -56.38 -51.5 68.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -52.05 -46.08 64.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.6 t -63.08 -51.21 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.443 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.5 t80 -57.83 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.56 -32.05 67.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 108' ' ' LEU . 39.4 mt-30 -44.84 -25.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.3 m -119.07 -33.21 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.505 ' C ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -97.37 129.07 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -52.91 151.24 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.69 20.27 2.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -71.09 -37.23 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -51.04 -41.05 59.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -85.0 -53.26 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -119.98 113.69 20.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -61.33 -38.89 88.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.03 -20.96 65.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 63' ' ' LYS . 1.7 tp -109.67 115.22 29.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -130.64 95.54 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -172.54 174.07 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.505 HG22 ' C ' ' A' ' 95' ' ' HIS . 55.2 p -134.0 132.42 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 93' ' ' GLN . 6.4 mt -34.84 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -90.56 -73.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.85 149.09 41.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 39' ' ' THR . 53.5 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -95.55 170.05 9.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 t -75.08 103.97 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.01 171.97 41.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.422 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.25 44.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.611 2.207 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.3 p -149.52 129.01 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.8 t -44.01 134.9 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -145.13 127.14 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -158.94 165.17 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.94 123.16 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -145.06 157.98 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -111.53 121.98 46.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.793 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.09 105.45 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -115.25 82.59 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 57.14 50.62 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -119.81 161.47 20.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.6 mt -68.16 138.07 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 37.6 t0 -98.72 105.81 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.36 -23.9 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.647 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.9 p -76.99 5.38 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.32 -23.16 16.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 68.8 m-85 -77.72 149.82 78.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -24.68 29.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.266 . . . . 0.0 112.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.9 p-90 -84.6 14.77 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 t80 -94.4 129.13 41.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 95.91 97.39 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 21' ' ' GLY . 6.0 p-10 33.22 54.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.589 ' HE3' HD21 ' A' ' 31' ' ' LEU . 24.1 ttp -75.06 156.02 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 133.33 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -42.79 -67.71 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -49.51 -47.53 48.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.6 tt0 -56.1 -20.73 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.624 ' CG2' HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.61 -44.88 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.633 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -77.02 -14.14 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -94.23 -34.83 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.671 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -84.44 -24.97 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD23 ' A' ' 41' ' ' LEU . 15.5 mt -82.31 -30.94 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.92 -33.23 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -75.81 -23.89 55.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -80.69 177.34 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -179.5 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -82.59 16.54 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.54 5.2 6.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -82.64 125.17 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' HB3' HG23 ' A' ' 56' ' ' ILE . 19.7 p90 -121.37 166.26 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 28' ' ' THR . 1.1 pp -163.26 157.17 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.2 mp -124.84 119.92 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HG2' HD11 ' A' ' 41' ' ' LEU . 7.8 mtp180 -96.16 170.75 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.36 112.4 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -95.17 145.59 29.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' GLU . 54.4 Cg_endo -69.73 -169.53 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.373 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.59 89.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' PRO . 11.2 mm-40 -147.63 -175.01 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.92 -42.83 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -119.04 -175.0 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -126.66 -48.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.99 161.05 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' A' ' 67' ' ' VAL . . . -147.5 149.44 32.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 88' ' ' LEU . 29.1 mt -122.83 120.51 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -118.02 126.45 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -134.71 147.56 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -87.94 120.08 28.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 90.0 t80 -156.87 140.92 16.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 63.96 36.69 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 52.94 28.21 6.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -147.29 133.03 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG21 ' HA ' ' A' ' 29' ' ' ASP . 81.9 t -73.78 117.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.638 ' HG3' HD11 ' A' ' 104' ' ' LEU . 18.9 mmtm -102.22 144.6 30.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.4 131.78 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.2 mt -121.29 98.01 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -64.22 148.01 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG23 ' HA ' ' A' ' 53' ' ' ALA . 12.3 t -123.6 146.3 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.459 HG21 ' NE2' ' A' ' 75' ' ' HIS . 18.9 m -121.68 155.71 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.33 102.36 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -133.32 149.81 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 53.6 35.65 21.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 33.1 m120 60.13 35.21 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.7 m95 -134.4 173.96 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.92 129.56 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' NE2' HG21 ' A' ' 68' ' ' VAL . 23.7 p-80 -152.25 -177.72 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.4 pt -143.69 143.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.9 t 38.56 27.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' ILE . 48.1 mt-10 48.61 45.52 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.95 -44.35 6.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 1.3 tppp? -153.26 139.0 17.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -99.86 126.39 45.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 34.7 m-85 -120.35 147.98 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.31 -29.22 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -170.07 179.81 3.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.9 tt -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.0 tp -48.7 -51.33 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.57 -38.7 92.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.1 tt -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 85' ' ' LEU . 26.0 t -78.28 -48.16 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.585 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 52.3 t80 -69.18 -48.92 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.94 -21.09 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -56.41 -22.06 29.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.2 m -125.07 -28.75 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -101.24 130.43 47.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 6.7 t -55.14 149.41 12.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.88 12.09 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -68.89 -32.11 71.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -48.82 -46.69 42.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -84.78 -47.36 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -125.32 96.93 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -45.2 -51.47 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -54.02 -30.74 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.638 HD11 ' HG3' ' A' ' 63' ' ' LYS . 1.4 tp -95.55 107.86 20.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 9.7 t70 -123.39 101.72 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.1 t -171.79 161.61 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 71.0 p -133.03 133.11 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' ' 40' ' ' TYR . 7.0 mt -45.07 107.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 57.2 mttt -100.08 -71.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 1.6 m-85 -112.81 147.8 37.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.717 0.77 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -172.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.77 -174.91 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -104.53 102.23 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.93 -174.06 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 137.5 35.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 72.2 p 43.36 37.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -89.26 32.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 62.58 42.24 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -87.29 82.81 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.91 80.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -142.23 161.33 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -59.17 175.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.32 53.01 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.6 p -160.25 132.43 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.836 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -162.54 149.95 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -52.36 163.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt -71.38 133.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -75.24 91.49 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -76.02 -35.89 59.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.875 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 65.6 p -61.32 -8.9 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -26.98 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 61.0 m-85 -77.07 147.3 76.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.715 0.769 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -31.93 19.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 p-90 -72.14 1.77 6.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.875 ' CZ ' HG22 ' A' ' 14' ' ' THR . 9.8 t80 -84.09 134.91 34.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.22 -49.81 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.07 -144.35 18.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 22.4 t30 -94.48 54.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ptm -74.18 -175.39 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -108.12 140.05 41.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -44.26 -52.64 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -52.0 -50.39 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.7 -44.6 63.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.951 HG23 HD21 ' A' ' 41' ' ' LEU . 16.0 m -58.77 -50.76 72.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.58 ' CG ' HG11 ' A' ' 62' ' ' VAL . 8.0 t0 -68.26 -29.53 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 54.2 m-20 -72.47 -36.62 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 35' ' ' HIS . 2.1 pp -89.19 -27.84 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 28' ' ' THR . 22.1 mt -79.7 -47.99 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 19.6 ptmt -35.74 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 38.9 t -88.8 -41.62 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' CG ' HG21 ' A' ' 39' ' ' THR . 19.9 m-70 -46.14 171.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.95 -174.79 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -87.18 30.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 9.09 1.07 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.605 HG21 ' CG ' ' A' ' 35' ' ' HIS . 52.9 m -82.86 126.11 32.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 17.8 p90 -126.29 164.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.951 HD21 HG23 ' A' ' 28' ' ' THR . 1.1 pp -169.58 159.06 8.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -123.86 123.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.08 174.09 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 1.9 tm-20 -137.96 118.6 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.13 142.23 24.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.939 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -147.39 140.28 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -62.58 -66.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB1' ' OE2' ' A' ' 50' ' ' GLU . . . -49.96 -58.62 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.939 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 8.6 mp0 -119.32 135.6 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -119.61 -35.44 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -104.82 143.76 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 65' ' ' ILE . . . -141.74 162.68 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.845 HG22 HD11 ' A' ' 56' ' ' ILE . 48.9 mt -131.51 130.47 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.493 ' CB ' HG21 ' A' ' 28' ' ' THR . 1.4 t -121.38 129.56 53.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.845 HD11 HG22 ' A' ' 54' ' ' ILE . 2.7 mp -140.59 130.02 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -80.0 112.28 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE2' ' CG ' ' A' ' 59' ' ' ASN . 85.3 t80 -145.3 155.37 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' CG ' ' CE2' ' A' ' 58' ' ' PHE . 23.2 m-20 52.22 38.35 24.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t0 56.62 26.6 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.34 125.77 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' CG ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -71.24 115.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 104' ' ' LEU . 49.7 mmtt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -113.78 128.31 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 45.1 mt -116.43 153.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 65' ' ' ILE . 40.3 pttt -119.8 137.62 53.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 76' ' ' ILE . 40.2 t -100.49 151.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.8 t -133.04 130.46 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 102.86 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -134.69 150.11 50.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.5 t70 53.34 41.24 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.62 25.28 11.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.7 m95 -128.8 166.77 18.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.98 130.47 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -158.08 177.39 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 HD11 ' A' ' 88' ' ' LEU . 19.9 pt -131.0 137.67 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 76' ' ' ILE . 7.0 t 42.86 25.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 54.25 45.85 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.09 -48.94 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 5.6 tmtm? -148.98 122.5 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 9.0 ptpt -78.86 121.05 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE1' ' HD2' ' A' ' 80' ' ' LYS . 48.8 m-85 -116.85 170.79 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -31.09 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -152.66 175.15 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.7 -24.67 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.83 -46.24 79.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.25 -40.46 96.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.7 tt -60.31 -35.84 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -75.91 -49.12 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.23 -34.05 75.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.4 t80 -56.67 -55.79 29.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.89 -34.02 72.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.818 ' HG3' HD12 ' A' ' 108' ' ' LEU . 48.6 mt-30 -42.28 -25.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 m -118.61 -31.43 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.501 ' C ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -100.68 127.64 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -51.75 146.46 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' A' ' 104' ' ' LEU . 3.1 mt -79.9 12.18 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -66.42 -36.44 82.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.22 -47.41 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 p -78.46 -43.87 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -129.22 104.5 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.02 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.89 -19.67 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 63' ' ' LYS . 7.5 tp -109.26 106.0 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -119.03 91.28 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -172.29 157.71 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.501 HG22 ' C ' ' A' ' 95' ' ' HIS . 41.6 p -123.67 131.79 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.818 HD12 ' HG3' ' A' ' 93' ' ' GLN . 12.1 mt -34.56 103.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -93.05 -74.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -112.71 147.26 36.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.753 0.787 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.77 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.404 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.421 ' CZ ' ' HA2' ' A' ' 114' ' ' GLY . 1.1 p90 -92.55 -174.93 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t -83.66 72.7 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 112' ' ' TYR . . . -90.38 -179.98 43.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.69 6.6 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.737 2.292 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' SER . 33.4 m -108.72 166.07 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 116' ' ' SER . 2.2 m 37.04 39.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.504 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -88.78 130.62 35.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -166.25 140.19 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.54 56.48 3.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.425 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -115.76 92.62 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -133.0 146.98 52.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.78 164.26 46.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 p -83.1 -43.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -126.23 49.14 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -114.19 165.68 12.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.497 HG21 HD22 ' A' ' 86' ' ' LEU . 53.5 mt -85.78 128.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.207 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.22 105.79 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -84.45 -27.05 27.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.077 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 74.7 p -70.73 -3.81 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.48 -30.81 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 61.2 m-85 -73.39 145.47 85.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.708 0.766 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -28.24 25.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.3 p-90 -77.89 5.16 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.077 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.1 t80 -94.76 128.0 41.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -94.92 -61.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 112.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.1 t30 40.25 53.24 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 4.1 ttm -89.35 155.9 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.52 147.03 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -28.13 67.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -80.76 -46.19 15.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -57.23 -37.78 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.705 HG23 HD21 ' A' ' 41' ' ' LEU . 1.6 m -63.91 -50.62 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' HA ' HG21 ' A' ' 62' ' ' VAL . 9.3 t0 -73.83 -13.0 60.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -86.71 -33.58 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 32' ' ' LEU . 1.2 pp -92.64 -38.19 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 14.6 mt -65.35 -49.05 70.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -37.47 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -79.63 -32.5 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' A' ' 32' ' ' LEU . 7.7 m80 -62.23 -177.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.26 -174.91 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 m -87.37 22.65 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -3.97 3.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -71.81 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.882 ' CE2' HD13 ' A' ' 108' ' ' LEU . 14.0 p90 -128.61 167.42 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 28' ' ' THR . 2.8 pp -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 85' ' ' LEU . 2.7 mp -132.71 117.05 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG2' ' CD1' ' A' ' 41' ' ' LEU . 9.5 mtm-85 -103.07 164.83 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -129.27 120.26 25.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -98.49 138.13 20.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.707 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 94.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -163.24 174.23 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.02 -58.33 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.6 -55.04 25.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 25.4 mp0 -123.69 128.89 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -132.21 27.08 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 85' ' ' LEU . 6.0 m-85 -157.4 153.26 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -150.07 156.27 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.817 HG22 HD11 ' A' ' 56' ' ' ILE . 18.0 mt -133.68 112.51 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -114.86 118.48 33.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -128.77 135.04 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -80.28 118.79 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -158.96 133.75 8.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 73.06 28.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.56 32.73 21.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -151.57 123.38 8.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 29' ' ' ASP . 69.0 t -74.92 108.62 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' A' ' 104' ' ' LEU . 29.3 mmtt -91.48 144.47 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.32 115.82 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -109.72 107.15 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -75.51 135.11 40.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.495 ' HA ' HG22 ' A' ' 76' ' ' ILE . 75.7 t -91.59 137.26 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.04 135.75 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HG2' ' CG1' ' A' ' 74' ' ' ILE . 8.2 mt-10 -124.87 102.4 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -139.2 150.04 45.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 52.91 44.36 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 52.97 38.52 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -131.38 174.27 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.7 mt -146.28 125.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.4 p80 -165.21 -175.02 3.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' GLU . 41.3 pt -137.62 153.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.8 t 29.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 76' ' ' ILE . 3.1 mp0 36.48 50.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.4 -39.47 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -158.98 122.66 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -82.06 121.96 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 80' ' ' LYS . 44.0 m-85 -114.09 169.61 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -36.92 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -151.88 178.54 9.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.8 tp -69.7 -27.14 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 11' ' ' ILE . 37.9 tp -62.49 -51.45 67.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.08 -40.03 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -60.51 -34.1 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG13 ' CD1' ' A' ' 108' ' ' LEU . 94.5 t -81.14 -50.54 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.78 -21.63 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.451 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 67.1 t80 -74.59 -49.76 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -74.3 -27.8 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.89 -24.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.96 -33.7 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.457 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.0 127.34 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 5.3 t -53.15 158.25 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 104' ' ' LEU . 3.9 mt -84.58 -5.82 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 31.5 pttt -47.15 -43.64 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 41.5 mt-10 -45.4 -48.06 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.7 m -81.82 -42.94 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -133.37 96.2 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -50.35 6.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.09 -33.4 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.514 HD13 ' HG3' ' A' ' 63' ' ' LYS . 4.1 tp -98.39 111.16 23.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.33 92.33 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -166.52 165.25 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 95' ' ' HIS . 49.9 p -132.61 130.67 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' CE2' ' A' ' 40' ' ' TYR . 9.7 mt -33.93 102.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -91.16 -74.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -116.95 148.34 41.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -169.66 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -102.03 -175.0 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.5 t -104.56 114.73 29.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.23 152.63 10.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.28 53.98 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -157.95 150.28 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m -148.12 171.04 16.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -63.93 142.99 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.816 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -45.81 -48.93 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.68 167.45 24.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -133.45 42.42 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -173.75 168.12 4.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.91 -90.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -71.88 -53.02 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 10' ' ' GLU . 20.3 ttt180 63.26 43.63 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 9' ' ' ARG . 15.5 mp0 -34.61 149.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 57.3 mt -45.19 133.94 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 36.0 t0 -83.92 88.53 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 13.1 m-85 -71.65 -27.88 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.045 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 52.4 p -69.0 -2.54 10.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -88.29 -26.39 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 72.5 m-85 -81.33 147.48 60.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.95 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.3 p-90 -74.46 4.32 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.045 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.0 t80 -95.3 129.53 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . . . -99.53 -54.29 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.62 115.13 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 24.8 t30 39.73 48.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.951 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.577 ' HE1' HD21 ' A' ' 31' ' ' LEU . 5.4 ttm -80.89 162.47 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 23' ' ' MET . 28.0 mt-10 -91.56 124.87 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -47.54 -59.12 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 8.9 tp60 -47.42 -53.46 13.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.9 tt0 -56.13 -34.04 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.801 HG23 HD21 ' A' ' 41' ' ' LEU . 1.8 m -64.98 -46.99 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -79.88 -15.26 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 79.7 m-20 -91.98 -29.2 16.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD21 ' HE1' ' A' ' 23' ' ' MET . 1.8 pp -92.12 -31.02 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 35' ' ' HIS . 53.3 mt -77.38 -49.48 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -40.39 -38.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -78.03 -33.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.485 ' N ' ' O ' ' A' ' 32' ' ' LEU . 4.5 m80 -59.2 -176.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.14 -174.74 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -88.16 28.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.4 8.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 111' ' ' PRO . 99.0 m -84.85 118.63 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CE2' HD13 ' A' ' 108' ' ' LEU . 13.8 p90 -119.81 166.68 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.801 HD21 HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -168.2 161.0 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -129.48 122.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -131.75 165.62 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -91.81 151.37 20.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.1 ttm-85 -109.88 137.53 20.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.749 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.74 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 -176.83 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -95.13 -35.35 11.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.75 -70.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -66.77 88.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -100.32 23.68 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -158.14 146.16 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.64 145.23 24.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -110.07 127.22 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -119.52 118.41 30.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -133.96 136.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.119 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -83.29 125.27 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -161.69 145.63 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.3 t30 52.75 46.96 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 48.74 25.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -143.11 140.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.05 106.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -85.13 130.39 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -105.28 108.67 20.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.459 HG12 ' CE1' ' A' ' 101' ' ' PHE . 83.4 mt -89.29 152.66 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 65' ' ' ILE . 16.4 pttt -116.57 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.597 ' HA ' HG22 ' A' ' 76' ' ' ILE . 97.8 t -102.95 155.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.449 ' N ' HG12 ' A' ' 67' ' ' VAL . 21.4 m -139.6 156.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -131.4 108.3 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -138.43 150.07 46.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 52.36 32.58 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 64.87 31.74 11.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.477 ' CZ3' ' N ' ' A' ' 83' ' ' ASP . 38.8 m95 -129.96 174.61 9.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.5 mt -139.5 128.21 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.03 -175.62 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 77' ' ' THR . 19.4 pt -141.87 137.5 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 76' ' ' ILE . 9.2 t 48.42 25.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 58.69 43.96 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.47 -75.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 5.8 tptp -134.76 138.39 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 112.37 24.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 41.5 m-85 -108.26 137.29 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.477 ' N ' ' CZ3' ' A' ' 73' ' ' TRP . 11.4 t70 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.8 m -164.91 -175.82 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 42' ' ' ILE . 56.8 tp -61.49 -55.94 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' LEU . 66.4 tp -37.14 -51.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.06 -50.66 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -52.68 -36.47 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -51.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.22 -27.98 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 85.2 t80 -65.72 -53.43 41.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 97' ' ' LEU . 42.8 m-85 -71.08 -26.44 63.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' A' ' 108' ' ' LEU . 13.3 mt-30 -48.01 -26.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.0 m -119.44 -30.36 4.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.38 131.46 45.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.0 OUTLIER -50.39 160.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 92' ' ' TYR . 9.0 mt -101.59 17.36 23.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 5.8 ptpt -65.68 -44.66 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 8.8 mp0 -38.56 -52.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 101' ' ' PHE . 9.8 t -74.49 -56.42 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' OG ' ' A' ' 100' ' ' SER . 46.7 m-85 -117.12 106.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -60.37 -14.96 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -95.83 0.81 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 5.8 tp -127.84 79.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -97.25 86.21 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -161.25 171.58 18.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.453 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -133.5 134.65 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.6 HD13 ' CE2' ' A' ' 40' ' ' TYR . 17.2 mt -38.98 112.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -104.55 -74.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.75 148.36 39.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.653 0.739 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 39' ' ' THR . 53.2 Cg_endo -69.74 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -87.21 -174.59 4.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.455 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 5.2 t -70.65 -173.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.57 -158.91 10.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.09 56.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.378 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.5 t -116.42 -48.87 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t -152.33 127.89 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.52 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.4 t 34.67 41.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.331 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -75.94 128.47 35.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 -154.18 19.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -141.54 123.44 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -152.94 121.96 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.75 75.09 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 p -163.81 168.61 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -98.12 41.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -94.35 141.62 28.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 86' ' ' LEU . 40.7 mt -78.51 145.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -87.99 104.38 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -88.27 -33.89 17.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.2 p -60.83 -13.45 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.52 56.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.652 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 63.3 m-85 -74.86 148.13 84.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -29.11 24.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.6 p-90 -78.08 10.16 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 14' ' ' THR . 14.9 t80 -84.23 131.81 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.799 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -119.93 -39.45 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 74.07 -143.89 32.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -63.54 76.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.574 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.3 tpp -100.83 150.7 22.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HG3' ' CB ' ' A' ' 27' ' ' GLN . 9.5 pt-20 -96.43 128.71 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.623 ' N ' HH22 ' A' ' 43' ' ' ARG . 4.5 tmm_? -40.85 -46.35 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 27' ' ' GLN . 8.7 pt20 -52.84 -54.0 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.493 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 3.9 tt0 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.805 HG22 HD12 ' A' ' 32' ' ' LEU . 4.2 m -60.03 -50.2 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.579 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.4 t70 -72.78 -35.42 67.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.8 -32.17 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 23' ' ' MET . 1.5 pp -93.15 -36.45 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.805 HD12 HG22 ' A' ' 28' ' ' THR . 35.3 mt -71.48 -47.03 58.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 34' ' ' SER . 15.6 ptmt -41.41 -46.45 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 1.3 t -67.89 -40.32 83.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -53.67 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.45 -175.16 3.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.5 m -84.04 24.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' CA ' ' HE2' ' A' ' 109' ' ' LYS . . . -132.33 -7.68 2.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 111' ' ' PRO . 98.9 m -73.49 128.38 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 108' ' ' LEU . 12.4 p90 -134.39 163.06 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -160.21 166.49 29.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.817 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.3 mp -126.18 109.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.623 HH22 ' N ' ' A' ' 25' ' ' ARG . 5.8 ptm180 -99.65 166.73 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -117.76 141.7 48.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HD3' ' HB2' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -118.32 161.01 37.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.8 139.15 39.37 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.346 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' PRO . . . -34.94 -35.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' PRO . 32.9 tt0 -58.35 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -75.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.4 tp10 -152.7 152.0 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HG2' ' CD2' ' A' ' 52' ' ' PHE . 9.3 ttm180 -75.27 -43.91 48.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 29.1 m-85 -133.76 158.36 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' HB2' ' HD3' ' A' ' 45' ' ' ARG . . . -148.03 159.06 44.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 56' ' ' ILE . 25.3 mt -134.83 124.07 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -117.61 127.32 53.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.18 138.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -82.66 128.65 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 104' ' ' LEU . 47.2 t80 -173.33 145.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 60.58 45.83 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 44.92 28.43 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -151.13 133.64 15.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.579 HG21 ' HA ' ' A' ' 29' ' ' ASP . 93.3 t -81.29 114.72 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG3' HD13 ' A' ' 104' ' ' LEU . 31.1 mmtm -88.82 150.7 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -137.47 117.16 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.29 149.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -103.88 103.57 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 76' ' ' ILE . 69.8 t -78.07 95.04 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.74 153.66 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -133.14 104.8 6.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.2 149.98 50.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.8 m-20 52.98 38.63 27.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.602 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 3.8 t30 58.95 29.7 19.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 14.5 m95 -129.26 167.26 17.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.513 HG23 ' CG1' ' A' ' 67' ' ' VAL . 4.5 mt -132.63 127.6 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.4 170.7 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 67' ' ' VAL . 37.4 pt -138.69 147.0 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.5 t 39.61 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' ILE . 31.9 mt-10 46.22 48.94 12.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.51 -47.47 5.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -161.02 136.85 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -89.57 134.14 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.5 m-85 -123.47 140.71 52.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 24.2 t70 -36.34 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.2 m -174.73 -176.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 89' ' ' VAL . 19.5 tp -59.12 -44.27 92.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 11' ' ' ILE . 57.9 tp -50.25 -56.66 10.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.65 -51.96 61.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.602 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.7 tt -49.52 -42.57 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 108' ' ' LEU . 57.9 t -69.34 -50.79 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.83 -26.76 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 77.6 t80 -66.59 -54.95 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.694 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.3 m-85 -70.93 -24.89 62.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.19 -24.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -123.02 -31.0 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.2 128.71 44.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -50.17 153.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.3 mt -91.88 20.05 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 38.3 pttt -71.13 -44.45 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -36.81 -53.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -76.43 -53.39 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -116.73 99.19 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -52.36 -26.55 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 5.3 pt20 -79.74 -23.01 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.765 HD13 ' HG3' ' A' ' 63' ' ' LYS . 8.9 tp -104.22 103.39 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.45 94.94 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 t -171.53 169.29 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.52 HG22 ' C ' ' A' ' 95' ' ' HIS . 36.8 p -132.62 130.88 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 40' ' ' TYR . 8.2 mt -34.36 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HE2' ' CA ' ' A' ' 38' ' ' GLY . 13.5 mtmm -88.9 -75.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.81 152.85 49.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.697 0.761 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' ' 39' ' ' THR . 53.4 Cg_endo -69.78 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.9 -175.01 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.3 p -66.71 89.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.39 143.88 38.05 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 112.34 3.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.302 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -83.09 41.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.2 p -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.543 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -156.46 145.61 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -146.95 172.38 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.25 133.85 4.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -108.93 167.32 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -87.28 149.23 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.42 -40.94 2.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p 43.61 41.63 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -79.12 86.15 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -118.75 165.21 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -60.96 146.42 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -96.04 102.57 14.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -80.95 -28.52 35.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 47.2 p -70.23 -8.75 52.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.24 -25.67 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.678 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 62.2 m-85 -73.78 146.8 85.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.74 . . . . 0.0 111.015 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.678 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 16.7 p-90 -79.79 13.33 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.3 t80 -96.49 128.65 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -89.87 -62.16 1.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 93.56 108.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.3 m-80 34.09 42.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -80.06 150.25 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 23' ' ' MET . 51.2 mm-40 -86.64 142.42 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -54.89 -48.25 73.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -54.19 -60.57 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -47.73 -49.34 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 32' ' ' LEU . 52.3 m -50.39 -53.59 28.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.657 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 t0 -68.81 -22.06 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -75.79 -37.36 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.3 -30.88 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 28' ' ' THR . 14.5 mt -72.72 -48.26 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -39.6 -41.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 m -75.67 -39.98 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.412 ' ND1' HG21 ' A' ' 39' ' ' THR . 3.1 m170 -48.62 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -175.99 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 m -88.15 36.45 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.23 14.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.412 HG21 ' ND1' ' A' ' 35' ' ' HIS . 22.8 m -85.41 115.49 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 108' ' ' LEU . 22.3 p90 -116.14 162.92 16.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.958 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -171.4 170.93 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.958 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -137.35 125.35 32.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' NH2' ' ND1' ' A' ' 64' ' ' HIS . 5.6 ptt-85 -134.77 172.21 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -103.71 101.96 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' CD ' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -74.12 132.49 79.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.73 -163.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.386 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 46' ' ' PRO . . . 75.03 43.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 47' ' ' ALA . 14.7 pt-20 32.56 36.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.522 ' HB3' ' CD ' ' A' ' 45' ' ' ARG . . . -106.46 -174.1 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 49' ' ' ALA . 7.1 mp0 -31.31 103.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -41.31 -38.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' HD22 ' A' ' 85' ' ' LEU . 4.1 m-30 -110.93 149.8 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' ' 45' ' ' ARG . . . -149.98 123.37 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 56' ' ' ILE . 18.2 mt -95.93 123.26 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -117.66 125.46 50.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 54' ' ' ILE . 4.1 mp -130.81 143.3 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 61' ' ' GLU . 12.9 tptm -98.62 101.58 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 106' ' ' THR . 8.1 t80 -140.21 133.44 29.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 9.9 t30 74.27 31.03 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t0 60.25 31.33 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 12.1 mt-10 -150.18 128.25 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 29' ' ' ASP . 94.9 t -80.26 112.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.709 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -95.77 129.62 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 96.7 m-70 -107.82 110.06 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.26 103.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -59.26 147.09 36.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.36 126.96 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.3 t -96.49 132.22 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.41 102.24 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -141.43 141.89 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' CG ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 m-20 57.62 39.99 27.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.7 m-20 57.17 32.91 22.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.541 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.4 m95 -128.52 150.61 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.4 mt -127.24 129.77 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 5.6 p80 -166.87 -175.06 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' GLU . 39.4 pt -140.08 157.01 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 30.86 36.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 76' ' ' ILE . 44.0 mt-10 37.02 52.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.49 -34.92 11.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 2.8 tppt? -174.33 124.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 133.54 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -122.89 145.91 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -41.26 -37.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -175.51 -175.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.3 tp -54.44 -44.33 72.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.1 tp -51.17 -55.27 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.29 -50.74 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.8 tt -57.17 -39.83 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 85' ' ' LEU . 90.7 t -65.62 -51.09 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.68 -40.79 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.449 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 33.5 t80 -54.72 -51.99 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.42 -31.02 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.865 ' HG2' HD12 ' A' ' 108' ' ' LEU . 12.5 mm-40 -48.87 -19.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.0 m -125.9 -33.0 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.458 ' C ' HG22 ' A' ' 107' ' ' THR . 1.7 m170 -97.98 130.37 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 107' ' ' THR . 12.5 t -56.42 157.2 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.22 16.95 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 16.2 pttm -68.45 -42.07 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.8 mm-40 -43.46 -51.69 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -74.87 -49.26 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.53 100.07 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.64 -27.63 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.82 -27.06 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.5 tp -104.88 114.52 28.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -125.97 93.13 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.534 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 5.5 t -169.38 160.51 9.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.1 p -127.33 132.95 50.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.865 HD12 ' HG2' ' A' ' 93' ' ' GLN . 21.1 mt -34.93 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -96.25 -74.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.18 146.19 34.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -79.66 -174.39 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -72.02 82.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.31 -169.12 15.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 0.42 5.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -47.33 145.71 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.789 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -109.65 36.07 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -64.72 94.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -130.69 104.91 7.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.55 129.5 4.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -65.73 152.86 43.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 p -111.49 91.42 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.78 49.09 57.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -127.69 124.67 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 10.8 mtp-105 -63.18 94.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.36 163.68 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -81.7 135.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -94.27 109.52 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.56 -20.82 62.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.051 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 80.9 p -81.3 3.19 24.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.97 -22.69 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.41 149.26 61.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.967 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.51 26.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.691 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.5 p-90 -81.15 15.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 1.051 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.9 t80 -94.76 124.4 38.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -85.42 -59.4 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 92.13 82.95 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 25.7 t30 43.87 44.64 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.403 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 40.2 ttp -71.39 157.84 37.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.13 124.69 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -41.11 -64.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -42.15 -56.79 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -51.47 -32.65 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.774 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.8 m -66.18 -49.72 66.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.91 -10.83 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -89.83 -41.13 12.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 35' ' ' HIS . 3.3 pp -82.91 -34.12 26.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.9 mt -68.83 -56.44 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -38.86 -41.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -73.61 -35.33 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.603 ' HD2' HD12 ' A' ' 31' ' ' LEU . 47.8 m-70 -60.72 -177.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 177.39 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 p -83.55 19.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.29 5.92 4.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.4 m -80.98 126.8 31.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.588 ' CD2' HD22 ' A' ' 108' ' ' LEU . 19.1 p90 -122.71 164.26 18.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.774 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.0 pp -160.43 165.68 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.1 mp -140.97 110.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.822 ' NH1' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -116.76 169.61 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -109.44 107.79 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 1.2 ptm85 -82.13 137.54 46.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 103.18 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.596 2.197 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -168.67 160.94 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.23 -71.01 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.32 -48.51 46.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 17.6 mp0 -112.54 137.17 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -119.31 -46.18 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -104.9 152.81 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.822 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . . . -149.65 152.83 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 56' ' ' ILE . 16.0 mt -116.7 138.26 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -131.16 122.98 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 HG22 ' A' ' 54' ' ' ILE . 2.4 mp -131.67 142.77 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -88.67 112.01 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -146.59 140.14 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 61.86 40.82 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.81 33.29 13.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.84 135.43 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG1' HD12 ' A' ' 32' ' ' LEU . 87.6 t -87.08 113.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.682 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.1 mptt -89.42 136.64 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -113.12 103.68 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.601 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 71.7 mt -91.44 154.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.22 146.82 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 53' ' ' ALA . 20.0 t -114.59 139.24 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.37 158.33 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -134.41 102.45 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -132.46 149.61 52.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 51.45 37.6 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.5 m120 59.81 37.83 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 18.4 m95 -130.92 174.86 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.28 123.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.15 -175.05 5.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.737 HG23 HD11 ' A' ' 88' ' ' LEU . 32.8 pt -135.93 147.69 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' THR . 6.7 t 33.92 32.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.0 mt-10 47.58 48.19 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.807 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.17 -55.98 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 2.4 mmmp? -135.8 120.62 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -82.27 112.02 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 80' ' ' LYS . 83.9 m-85 -112.9 167.83 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.37 -29.82 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -145.48 174.85 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 42' ' ' ILE . 19.6 tp -68.02 -44.32 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.53 -53.59 22.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.98 -45.5 31.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.737 HD11 HG23 ' A' ' 76' ' ' ILE . 8.8 tt -60.59 -41.11 94.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.16 -55.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.11 -34.35 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.461 ' CZ ' ' HE3' ' A' ' 80' ' ' LYS . 9.4 t80 -61.34 -53.05 61.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.468 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.7 m-85 -73.92 -22.22 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.682 ' CG ' HD12 ' A' ' 108' ' ' LEU . 18.1 mt-30 -54.38 -22.56 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.5 m -125.59 -29.57 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.466 ' C ' HG22 ' A' ' 107' ' ' THR . 1.3 m170 -99.02 130.04 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 107' ' ' THR . 17.5 t -48.72 132.13 17.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -10.87 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.7 ptmt -46.82 -31.07 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.02 -43.8 19.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -81.1 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 51.0 m-85 -107.65 158.3 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -93.25 -28.04 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -85.23 -1.71 57.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' A' ' 63' ' ' LYS . 5.3 tp -114.67 106.86 14.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 85.92 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.3 t -165.82 160.77 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 96' ' ' SER . 26.8 p -126.37 130.44 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.682 HD12 ' CG ' ' A' ' 93' ' ' GLN . 21.2 mt -34.24 100.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.31 -73.31 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -116.36 150.93 46.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.732 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.83 -169.03 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.674 2.249 . . . . 0.0 112.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -97.64 149.54 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 t -35.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.541 ' HA2' ' CZ ' ' A' ' 112' ' ' TYR . . . 112.2 171.58 18.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 126.69 13.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.615 2.21 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -67.01 151.28 47.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m -61.47 93.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.536 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.414 HG21 HD22 ' A' ' 86' ' ' LEU . 27.9 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.773 0.32 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.79 102.51 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -75.05 -21.73 58.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.926 HG22 ' CE1' ' A' ' 19' ' ' PHE . 40.3 p -79.99 7.71 8.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -20.04 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.713 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.2 m-85 -84.46 152.12 60.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -28.28 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.713 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -80.49 14.03 2.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.926 ' CE1' HG22 ' A' ' 14' ' ' THR . 13.6 t80 -90.79 131.81 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -112.94 -44.99 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.21 -141.22 16.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.8 p30 -94.0 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.521 ' CE ' HD21 ' A' ' 31' ' ' LEU . 4.1 ptm -68.26 -178.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.58 119.86 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -39.82 -64.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -47.08 -41.99 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -61.89 -34.43 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.611 HG22 HD12 ' A' ' 32' ' ' LEU . 23.7 m -64.87 -51.22 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -71.64 -12.09 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.29 -38.7 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 23' ' ' MET . 2.6 pp -86.02 -37.3 19.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 41' ' ' LEU . 25.5 mt -67.97 -55.58 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -43.2 -41.95 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -70.47 -39.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.0 m-70 -53.57 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.93 -179.85 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -84.83 35.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.39 14.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.576 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -88.01 117.92 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.563 ' HB3' HG23 ' A' ' 56' ' ' ILE . 22.0 p90 -116.39 161.05 19.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 32' ' ' LEU . 1.2 pp -161.7 157.49 24.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.585 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -120.63 118.86 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.411 ' NH1' ' HG2' ' A' ' 23' ' ' MET . 0.1 OUTLIER -115.5 164.36 14.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.926 0.393 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -160.61 150.43 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.29 164.39 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.481 HG22 HD11 ' A' ' 56' ' ' ILE . 21.0 mt -137.74 125.33 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -121.71 123.75 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -130.51 134.92 61.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -81.95 108.16 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 27.0 t80 -148.57 134.39 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 11.9 t30 69.21 45.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 43.81 32.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -149.82 125.39 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 29' ' ' ASP . 77.3 t -79.83 111.05 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -94.57 140.82 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -120.68 113.88 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.4 mt -99.52 150.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -105.61 143.19 34.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 76' ' ' ILE . 91.0 t -107.39 136.32 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.9 125.84 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.19 104.66 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -140.64 149.58 42.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 73' ' ' TRP . 29.0 m-20 55.35 38.63 30.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.594 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 8.6 m120 58.95 28.77 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.594 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 10.2 m95 -125.65 162.07 25.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 85' ' ' LEU . 6.0 mt -131.94 124.28 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -159.56 175.58 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 77' ' ' THR . 37.8 pt -127.33 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 47.19 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.64 50.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -107.2 -25.85 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.3 tmtp? -161.42 125.83 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 2.8 pptp? -83.84 148.41 27.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 38.5 m-85 -144.54 138.87 27.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.65 -35.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -174.37 172.9 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 42' ' ' ILE . 60.5 tp -46.14 -51.52 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 11' ' ' ILE . 31.3 tp -43.06 -53.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -50.53 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.1 tt -51.26 -38.27 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.0 t -71.35 -52.93 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.97 -26.59 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 61.3 t80 -68.45 -52.61 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.78 -27.45 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HG3' HD12 ' A' ' 108' ' ' LEU . 59.0 mt-30 -49.47 -23.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 70.2 m -121.1 -31.8 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -99.96 127.6 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t -52.14 155.02 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -86.64 12.79 9.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -64.96 -38.85 92.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.11 -47.7 34.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -82.3 -42.15 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -133.15 97.71 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -47.99 -51.37 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -50.1 -33.44 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.579 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.6 tp -99.8 117.67 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -129.91 94.4 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 14.7 t -167.27 169.17 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.8 p -134.41 133.36 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 93' ' ' GLN . 10.6 mt -37.79 103.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -94.76 -74.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.89 149.72 41.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 39' ' ' THR . 52.6 Cg_endo -69.9 -176.35 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.625 2.217 . . . . 0.0 112.31 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 113' ' ' SER . 2.5 p90 -80.05 -174.82 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 112' ' ' TYR . 29.4 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.428 HG21 HD22 ' A' ' 86' ' ' LEU . 72.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.876 0.37 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.703 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.0 t0 -104.25 95.38 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -78.3 -25.88 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.992 HG22 ' CE2' ' A' ' 19' ' ' PHE . 54.6 p -80.53 9.19 6.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -101.41 -22.22 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.698 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.9 m-85 -80.28 152.56 73.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.714 0.769 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -28.58 24.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.9 p-90 -79.35 12.06 2.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.992 ' CE2' HG22 ' A' ' 14' ' ' THR . 8.8 t80 -93.67 135.45 34.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.756 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -116.04 -47.72 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.24 -138.72 14.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.18 78.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.539 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -95.35 159.68 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 mt-10 -107.47 126.92 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' GLU . 13.0 mmm-85 -33.98 -47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -66.55 -49.74 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.404 ' HG3' HD23 ' A' ' 31' ' ' LEU . 9.1 tp60 -52.35 -49.74 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.506 HG23 HD21 ' A' ' 41' ' ' LEU . 10.6 m -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 62' ' ' VAL . 4.5 t0 -72.63 -12.59 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -88.95 -34.56 16.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.1 pp -91.71 -33.55 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -68.25 -51.32 46.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 34' ' ' SER . 11.0 pttp -36.89 -44.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.6 t -68.64 -39.82 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CD2' HG21 ' A' ' 39' ' ' THR . 12.6 m-70 -59.28 -179.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.58 -175.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.2 m -84.07 16.79 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.11 1.15 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 111' ' ' PRO . 53.0 m -79.53 124.18 28.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.669 ' CD2' HD22 ' A' ' 108' ' ' LEU . 14.5 p90 -126.27 158.41 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -163.37 162.1 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -124.94 117.86 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -125.51 155.19 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.81 0.338 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -114.16 175.85 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -149.9 129.79 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 56' ' ' ILE . 18.4 mt -95.6 122.68 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.46 124.82 46.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.827 HD11 HG22 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.04 140.82 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -84.2 126.48 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 80.2 t80 -168.62 138.74 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 64.5 45.35 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 45.31 33.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -151.3 137.65 18.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 29' ' ' ASP . 42.1 t -89.69 108.26 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.842 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.4 mptt -84.21 144.28 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.21 107.77 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 54' ' ' ILE . 5.3 mp -92.22 151.62 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -111.87 121.96 46.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.977 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' HG23 ' A' ' 74' ' ' ILE . 60.3 t -88.44 112.93 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.63 130.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.02 104.52 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -133.68 149.96 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.3 m-20 48.8 45.82 21.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 29.0 t30 53.12 32.89 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.4 m95 -130.64 162.1 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.413 HG21 ' HA ' ' A' ' 85' ' ' LEU . 8.8 mt -129.56 126.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -156.33 -175.15 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' OH ' ' A' ' 92' ' ' TYR . 33.3 pt -143.26 145.33 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.4 t 44.22 25.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 43.22 43.86 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -94.24 -36.51 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -160.91 139.81 10.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -90.51 139.18 30.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -130.54 140.41 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.84 -27.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -175.21 -177.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 74' ' ' ILE . 18.2 tp -62.68 -47.96 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 11' ' ' ILE . 27.2 tp -45.73 -54.81 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.79 -51.02 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.9 tt -50.24 -42.56 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 108' ' ' LEU . 50.2 t -67.66 -46.85 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -61.38 -24.12 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.452 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 18.2 t80 -71.75 -49.46 38.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.628 ' OH ' HD11 ' A' ' 76' ' ' ILE . 25.9 m-85 -75.44 -20.99 58.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.545 ' HG3' HD12 ' A' ' 108' ' ' LEU . 20.2 mt-30 -56.17 -23.78 37.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.0 m -122.96 -28.58 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -102.1 133.81 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -60.18 153.59 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 104' ' ' LEU . 7.8 mt -81.21 -11.96 59.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -44.18 -38.49 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -48.15 -49.4 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 m -81.74 -45.13 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.76 96.51 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -47.18 -37.34 9.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.01 -30.54 71.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.6 tp -100.9 105.56 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.64 90.42 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.7 t -164.53 160.93 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.424 HG22 ' C ' ' A' ' 95' ' ' HIS . 24.6 p -125.59 136.23 53.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.669 HD22 ' CD2' ' A' ' 40' ' ' TYR . 19.3 mt -42.23 96.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' THR . 71.0 mttt -87.71 -73.47 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -116.05 150.26 44.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 Cg_endo -69.79 -165.21 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -90.6 -176.32 4.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' TYR . 24.5 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.454 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.6 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.891 0.377 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.8 t0 -98.65 88.44 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.8 m-85 -72.96 -19.18 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.775 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.8 p -80.89 6.57 12.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.83 -19.58 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.28 150.71 64.73 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.14 27.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.702 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.3 p-90 -83.35 15.32 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.775 ' CE1' HG22 ' A' ' 14' ' ' THR . 6.5 t80 -92.9 131.55 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -106.29 -56.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.31 -133.18 11.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -74.22 61.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -83.19 159.03 22.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.6 mm-40 -105.47 127.69 53.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLU . 1.9 mpp_? -35.65 -43.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.42 -49.83 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -51.19 -46.75 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.98 HG23 HD21 ' A' ' 41' ' ' LEU . 28.7 m -60.57 -48.11 83.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.37 -10.85 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.62 -30.98 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.13 -40.1 10.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.6 mt -64.42 -49.04 73.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -41.01 -30.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 t -84.76 -35.16 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CG ' HG21 ' A' ' 39' ' ' THR . 20.4 m-70 -58.35 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.41 -174.87 4.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -85.95 26.25 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.44 7.48 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 111' ' ' PRO . 91.9 m -85.57 120.24 26.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB3' HG23 ' A' ' 56' ' ' ILE . 26.4 p90 -119.69 157.66 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.98 HD21 HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -159.32 158.5 32.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 mp -126.15 122.07 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -113.83 174.67 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' ARG . 13.5 tp10 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.656 ' NE ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.839 0.352 . . . . 0.0 110.818 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' ' NE ' ' A' ' 51' ' ' ARG . 20.1 m-85 -110.87 152.93 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.48 148.22 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.024 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 mt -116.43 143.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -139.06 130.38 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.9 OUTLIER -136.31 144.9 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HZ1' ' CA ' ' A' ' 60' ' ' ASP . 11.9 tptp -86.6 119.13 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 11.6 t80 -167.77 146.14 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.7 t-20 69.57 40.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CA ' ' HZ1' ' A' ' 57' ' ' LYS . 25.5 m-20 49.33 26.38 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -150.7 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.21 110.72 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 35.4 mmtt -88.26 151.82 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -131.85 104.14 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.78 140.58 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -105.62 122.21 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 68' ' ' VAL . 28.9 t -82.13 161.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.542 ' N ' HG12 ' A' ' 67' ' ' VAL . 24.9 t -136.41 131.38 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.31 103.67 11.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -141.51 149.62 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.6 t70 57.26 33.59 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 39.6 m-20 60.96 37.18 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 37.5 m95 -142.36 172.53 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.464 HG23 ' CG1' ' A' ' 67' ' ' VAL . 5.3 mt -133.39 136.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.481 ' HA ' HD12 ' A' ' 88' ' ' LEU . 28.0 p80 -168.7 -174.99 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 77' ' ' THR . 41.3 pt -137.94 143.25 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 44.47 25.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 48.01 44.42 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -89.07 -33.13 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -169.68 124.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 123.75 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -113.6 158.21 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.434 ' HB3' ' CD ' ' A' ' 87' ' ' GLU . 14.1 t0 -59.73 -29.75 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -172.74 -176.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 HG21 ' A' ' 42' ' ' ILE . 19.9 tp -60.5 -50.92 71.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -44.2 -54.17 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 83' ' ' ASP . 23.5 mt-10 -54.66 -47.17 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -58.68 -40.09 82.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 ' CD1' ' A' ' 108' ' ' LEU . 47.4 t -68.92 -53.48 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.47 -27.87 62.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 83.3 t80 -67.0 -52.87 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -71.05 -28.48 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.694 ' HG3' HD12 ' A' ' 108' ' ' LEU . 58.6 mt-30 -46.55 -25.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.2 m -119.7 -30.85 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.52 127.05 45.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.6 t -53.06 155.31 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.88 9.73 15.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -63.49 -36.9 85.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -49.35 -47.26 47.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 t -79.7 -52.52 7.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -119.12 108.03 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -56.62 -21.2 25.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -86.26 -21.19 27.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp -105.25 108.44 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.76 94.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -172.96 164.35 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 95' ' ' HIS . 31.8 p -130.04 141.64 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.5 mt -46.36 97.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -85.74 -70.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.26 152.37 50.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.73 0.776 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -99.68 -175.04 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 2.7 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 36.5 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.538 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 49.3 t0 -78.12 83.95 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.7 m-85 -67.52 -19.48 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.947 HG22 ' CE2' ' A' ' 19' ' ' PHE . 44.2 p -83.21 6.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.538 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.47 -20.01 18.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.0 m-85 -79.76 151.26 73.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -27.92 25.82 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.9 p-90 -80.37 13.18 2.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.947 ' CE2' HG22 ' A' ' 14' ' ' THR . 5.1 t80 -99.01 123.43 43.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.39 -37.38 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.69 -143.81 16.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.91 56.12 2.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.331 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.486 ' HE3' HG23 ' A' ' 28' ' ' THR . 28.9 ttp -83.06 155.39 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ARG . 26.7 mt-10 -95.84 137.16 35.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 17.4 ttp180 -34.99 -64.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -45.56 -55.28 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -49.65 -30.06 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.58 HG23 HD21 ' A' ' 41' ' ' LEU . 7.0 m -76.06 -46.91 26.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.614 ' HA ' HG11 ' A' ' 62' ' ' VAL . 6.7 t0 -66.47 -26.96 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 30.7 m-20 -74.13 -35.1 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 35' ' ' HIS . 1.2 pp -92.33 -23.58 19.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 HG22 ' A' ' 28' ' ' THR . 13.7 mt -85.13 -49.03 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 11.8 ptmm? -37.74 -46.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -70.99 -40.67 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.8 m-70 -52.34 174.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.37 -177.62 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 m -85.68 23.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.78 -3.32 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.564 HG21 ' CD2' ' A' ' 35' ' ' HIS . 81.9 m -72.2 116.46 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 111.13 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CB ' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -117.09 162.17 18.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -170.73 167.0 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.755 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.9 mp -130.54 117.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -124.79 157.0 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 20.3 ttm105 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -108.03 147.87 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.471 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . . . -139.9 152.18 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 56' ' ' ILE . 20.6 mt -121.5 126.77 75.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.421 ' CB ' HG21 ' A' ' 28' ' ' THR . 2.0 m -122.45 111.45 16.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' CB ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -122.03 131.16 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HE2' ' N ' ' A' ' 61' ' ' GLU . 16.2 tptm -80.28 120.32 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 78.9 t80 -153.51 145.36 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 9.7 t-20 56.77 39.89 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.43 27.66 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' HE2' ' A' ' 57' ' ' LYS . 52.4 mt-10 -147.55 131.61 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -87.18 115.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD13 ' A' ' 104' ' ' LEU . 3.3 mptp? -88.04 147.16 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 72.9 m-70 -122.46 103.48 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mt -101.21 148.81 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.89 147.7 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' A' ' 76' ' ' ILE . 59.0 t -107.93 119.3 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -84.67 111.41 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' A' ' 74' ' ' ILE . 2.7 tt0 -108.24 102.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -147.96 149.75 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 87.6 m-20 57.2 42.33 25.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 54.14 31.06 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 29.6 m95 -127.38 154.77 44.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CG1' ' HG3' ' A' ' 69' ' ' GLU . 10.0 mt -131.43 124.49 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -162.61 179.37 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 77' ' ' THR . 38.1 pt -136.84 146.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.2 t 44.38 25.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 44.78 48.95 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -96.09 -46.16 6.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -154.67 134.44 12.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 138.34 31.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -127.61 151.35 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.8 -23.73 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.0 m -172.3 178.75 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -62.43 -51.0 69.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.4 tp -41.65 -50.13 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.22 -46.39 82.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.3 tt -57.21 -53.08 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 23.4 t -57.14 -49.35 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.19 -24.07 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.435 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 22.8 t80 -69.42 -53.55 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 76' ' ' ILE . 22.1 m-85 -72.68 -25.64 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' CG ' HD12 ' A' ' 108' ' ' LEU . 10.5 mt-30 -49.62 -24.28 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.6 -32.27 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.02 130.2 44.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.4 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.2 t -54.24 159.64 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 104' ' ' LEU . 7.0 mt -92.72 6.45 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -60.59 -31.88 71.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.12 -50.03 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.49 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.4 t -82.2 -46.58 13.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 46.1 m-85 -125.61 100.16 6.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -51.88 -28.49 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -73.91 -25.98 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 HD13 ' A' ' 97' ' ' LEU . 3.4 tp -106.07 92.2 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.27 80.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.2 t -154.3 173.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' LEU . 74.4 p -135.02 131.19 36.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -98.05 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.92 148.49 40.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 39' ' ' THR . 53.8 Cg_endo -69.73 -175.95 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -82.83 -177.1 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.727 HG21 HD22 ' A' ' 86' ' ' LEU . 71.2 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.868 0.366 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.89 97.3 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -79.15 -21.8 45.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.945 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 79.2 p -77.82 2.76 16.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.58 -28.47 19.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.658 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 65.6 m-85 -75.83 149.11 82.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -26.69 27.49 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.6 p-90 -82.15 14.5 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.945 ' CZ ' HG22 ' A' ' 14' ' ' THR . 14.0 t80 -90.34 129.33 36.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.79 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.74 -59.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 81.9 109.0 0.39 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.6 p30 33.7 54.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.5 tpp -76.9 151.37 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.7 mm-40 -82.72 117.06 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -40.92 -28.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -82.5 -48.26 11.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.684 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -64.39 -19.11 65.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.721 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.6 m -79.83 -44.99 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 t0 -80.14 -11.3 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -88.92 -35.32 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 27' ' ' GLN . 1.7 pp -89.77 -37.02 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD11 HD23 ' A' ' 41' ' ' LEU . 23.5 mt -65.92 -41.75 90.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.2 -24.97 12.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -84.91 -29.68 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -68.07 -178.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.29 -174.96 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 p -86.04 29.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.34 13.25 2.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 111' ' ' PRO . 17.6 m -90.79 122.84 33.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.607 ' CD2' HD13 ' A' ' 108' ' ' LEU . 22.4 p90 -120.18 165.37 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -164.38 158.66 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -127.97 117.76 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -116.6 174.86 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 15.0 mmt85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 36.6 m-85 -164.23 147.45 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.8 141.12 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.622 HG22 HD11 ' A' ' 56' ' ' ILE . 20.8 mt -111.11 122.22 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 124.46 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -134.54 143.81 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -88.19 116.56 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -155.12 130.71 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 69.34 40.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 50.19 33.5 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -149.39 133.01 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 29' ' ' ASP . 59.7 t -86.79 106.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -89.16 130.26 35.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.34 114.39 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.09 107.09 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -71.2 112.48 7.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 76' ' ' ILE . 77.5 t -76.58 110.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.522 HG12 ' NE2' ' A' ' 75' ' ' HIS . 66.9 t -80.18 138.07 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.51 102.84 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -130.73 149.92 52.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.4 m-20 58.13 33.52 23.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.55 27.62 16.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 30.7 m95 -129.03 166.8 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -113.14 140.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.522 ' NE2' HG12 ' A' ' 68' ' ' VAL . 5.3 p80 -167.1 168.03 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 77' ' ' THR . 24.8 pt -140.39 144.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 76' ' ' ILE . 12.6 t 46.51 25.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 41.99 45.31 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 77' ' ' THR . . . -116.12 -36.59 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.1 134.16 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.33 162.73 17.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.67 162.73 33.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -51.76 -31.88 28.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.714 ' HA ' HD13 ' A' ' 74' ' ' ILE . 26.5 p -163.49 -178.77 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 tp -73.06 -24.99 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.727 HD22 HG21 ' A' ' 11' ' ' ILE . 37.4 tp -68.93 -51.61 38.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -35.25 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 ' HE2' ' A' ' 92' ' ' TYR . 6.6 tt -60.6 -41.3 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.4 t -70.8 -41.94 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.35 -26.88 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 28.0 t80 -74.2 -39.92 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.446 ' HE2' HD21 ' A' ' 88' ' ' LEU . 25.1 m-85 -81.19 -24.68 37.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -56.32 -22.24 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.16 -28.37 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -106.37 148.03 28.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -72.65 149.68 43.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.09 0.41 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.14 -32.91 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -45.88 -42.76 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 m -92.63 -54.9 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -110.14 99.57 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.09 14.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -85.23 -18.22 34.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.1 tp -112.01 109.56 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.69 89.02 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 t -152.11 158.03 42.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 109' ' ' LYS . 26.6 p -128.74 131.5 47.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.678 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -46.54 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' THR . 10.2 mtmm -83.73 -69.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -115.92 148.32 41.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.71 -168.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -95.52 -174.83 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.861 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.7 HG21 HD22 ' A' ' 86' ' ' LEU . 86.8 mt . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -85.23 104.29 14.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -82.77 -27.27 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.826 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 82.4 p -75.58 5.43 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.51 -25.8 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.058 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 71.1 m-85 -78.25 150.48 77.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.97 26.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.597 2.198 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.9 p-90 -81.95 13.27 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.826 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.6 t80 -86.19 124.39 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 1.014 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -88.07 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 83.51 106.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.4 p-10 33.74 55.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.51 ' CE ' HD21 ' A' ' 31' ' ' LEU . 3.3 tpp -83.81 152.47 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 23' ' ' MET . 5.8 mm-40 -96.75 123.92 40.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLU . 37.6 mtm180 -35.23 -68.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -44.63 -59.67 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -48.69 -32.19 8.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.521 HG23 HD21 ' A' ' 41' ' ' LEU . 3.1 m -73.29 -43.46 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.52 -11.73 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -88.88 -34.66 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.2 pp -90.87 -34.15 15.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 HD12 HG22 ' A' ' 28' ' ' THR . 19.4 mt -71.21 -43.05 68.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -46.26 -33.39 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -82.67 -26.59 31.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.6 m-70 -65.86 179.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.85 -176.16 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -87.62 31.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.7 8.22 1.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 111' ' ' PRO . 36.7 m -86.58 124.59 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 108' ' ' LEU . 20.6 p90 -125.43 165.92 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.014 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -163.19 161.53 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.4 mp -126.42 111.63 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 4.2 ptm180 -105.12 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.4 tpp180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 37.2 m-85 -162.39 148.69 13.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -148.73 161.23 42.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.673 HG22 HD11 ' A' ' 56' ' ' ILE . 10.9 mt -135.45 132.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -123.6 125.55 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.673 HD11 HG22 ' A' ' 54' ' ' ILE . 3.2 mp -134.05 134.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -84.27 112.57 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 56.2 t80 -150.15 141.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 57.72 52.78 7.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 42.47 34.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -152.64 134.56 14.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.61 104.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -83.77 136.97 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -115.01 129.02 56.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.59 143.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 1.1 mtmp? -103.16 103.05 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.649 ' HA ' HG22 ' A' ' 76' ' ' ILE . 47.9 t -70.84 98.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' NE2' ' A' ' 75' ' ' HIS . 79.5 t -75.84 137.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.15 103.2 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 71' ' ' ASP . 15.8 ttmm -128.21 149.97 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 12.2 t70 56.89 34.76 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.449 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 92.3 m-20 60.89 32.75 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 28.7 m95 -137.27 151.73 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -97.1 141.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.567 ' NE2' HG12 ' A' ' 68' ' ' VAL . 4.8 p80 -169.26 165.1 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 67' ' ' VAL . 45.1 pt -139.38 145.59 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.541 HG21 ' OG ' ' A' ' 100' ' ' SER . 13.3 t 42.69 25.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 40.73 48.44 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -115.3 -48.75 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -144.46 107.9 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -89.13 159.03 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 48.9 m-85 -136.19 159.53 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.18 -36.81 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' ILE . 1.9 m -157.78 173.72 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.3 tp -63.83 -37.15 86.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 HG21 ' A' ' 11' ' ' ILE . 25.3 tp -54.09 -54.37 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -57.75 -50.97 71.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -46.14 -33.1 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 108' ' ' LEU . 67.1 t -79.67 -49.62 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.6 -25.12 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.499 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 68.0 t80 -70.59 -50.79 33.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE1' HD23 ' A' ' 97' ' ' LEU . 26.6 m-85 -73.94 -21.29 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.91 -23.09 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.22 -25.25 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -106.29 132.99 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 107' ' ' THR . 41.7 t -53.78 156.85 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 104' ' ' LEU . 6.0 mt -88.25 3.52 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 99' ' ' GLU . 15.9 pttp -58.88 -39.83 82.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' LYS . 19.5 mt-10 -36.26 -47.53 0.59 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 77' ' ' THR . 29.8 t -98.04 -46.11 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.456 ' CB ' ' HB3' ' A' ' 104' ' ' LEU . 79.5 m-85 -114.26 83.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -44.09 -60.21 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.54 -32.25 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 97' ' ' LEU . 3.2 tp -95.33 90.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 17.5 t70 -105.14 97.44 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 5.3 t -167.45 153.49 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 96' ' ' SER . 70.7 p -120.84 141.45 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 40' ' ' TYR . 8.8 mt -53.21 99.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -91.97 -72.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -112.9 149.67 41.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.751 0.786 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 53.0 Cg_endo -69.74 -166.42 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 0.0 112.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.9 -178.6 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' CB ' ' A' ' 86' ' ' LEU . 89.5 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.08 91.37 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 7.8 m-85 -70.0 -36.7 75.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.879 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 69.4 p -66.74 -3.68 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.7 -21.66 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.695 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 88.0 m-85 -87.02 150.47 49.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -29.47 24.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CE3' HD13 ' A' ' 42' ' ' ILE . 10.9 p-90 -79.01 11.98 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.879 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.5 t80 -83.43 134.26 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -125.54 -16.09 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 34.44 -138.39 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -61.46 76.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.556 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.0 tpp -100.12 150.87 22.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.1 mt-10 -79.93 128.74 33.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.11 -22.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -85.77 -41.38 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -47.19 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.905 HG23 HD21 ' A' ' 41' ' ' LEU . 33.5 m -52.91 -53.03 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.2 t70 -74.28 -30.12 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -69.19 -32.88 72.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 23' ' ' MET . 4.0 pp -93.2 -42.57 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 28' ' ' THR . 24.2 mt -61.87 -49.66 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -41.85 -41.48 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -74.94 -41.65 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.762 ' CD2' HG21 ' A' ' 39' ' ' THR . 5.5 m-70 -54.4 179.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.0 -175.97 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 m -83.41 19.93 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.92 -4.46 5.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 111' ' ' PRO . 55.2 m -76.76 124.53 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.629 ' CD2' HD13 ' A' ' 108' ' ' LEU . 23.5 p90 -125.16 171.92 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.905 HD21 HG23 ' A' ' 28' ' ' THR . 1.4 pp -171.49 157.98 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.6 mp -119.89 112.86 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.98 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 13.6 m-85 -159.06 146.12 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.16 149.83 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 56' ' ' ILE . 18.3 mt -120.15 126.69 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 64' ' ' HIS . 30.9 m -117.16 116.49 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.779 HD11 HG22 ' A' ' 54' ' ' ILE . 1.3 mp -129.48 138.47 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -80.66 124.91 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 106' ' ' THR . 27.2 t80 -159.16 142.94 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.8 31.72 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.03 30.02 19.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -144.12 131.04 20.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 32' ' ' LEU . 46.3 t -81.81 109.35 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -89.97 157.54 17.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.423 ' CE1' ' OG ' ' A' ' 55' ' ' SER . 76.4 m-70 -139.83 113.09 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -99.67 151.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -106.52 103.34 12.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' HG22 ' A' ' 76' ' ' ILE . 85.9 t -72.04 94.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.418 HG12 ' NE2' ' A' ' 75' ' ' HIS . 70.8 t -63.51 139.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -133.29 106.86 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -137.18 147.54 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.88 25.76 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 69.36 34.1 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 24.9 m95 -136.64 148.17 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.3 mp -100.87 144.98 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 68' ' ' VAL . 7.9 p80 -172.83 172.71 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLU . 45.5 pt -143.46 153.63 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 32.02 35.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.5 mt-10 34.66 50.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -110.88 -51.54 2.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -141.18 131.31 24.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -100.34 160.81 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.404 ' HZ ' ' CD2' ' A' ' 91' ' ' TYR . 52.6 m-85 -144.73 158.93 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.71 -27.49 40.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.512 ' HA ' HD13 ' A' ' 74' ' ' ILE . 2.2 m -174.97 -175.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 42' ' ' ILE . 46.0 tp -63.21 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.667 ' CB ' HD13 ' A' ' 11' ' ' ILE . 62.3 tp -46.79 -55.9 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.53 -52.49 59.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 88' ' ' LEU . 3.7 tt -47.57 -42.78 24.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -69.33 -58.11 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.24 -26.9 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.432 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 20.5 t80 -69.87 -48.12 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.47 -18.68 56.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.16 -21.77 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.4 t -125.36 -26.2 3.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.467 ' C ' HG22 ' A' ' 107' ' ' THR . 1.2 m170 -104.67 131.39 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -56.22 152.9 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.16 10.45 8.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -65.42 -32.98 74.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -48.88 -48.29 42.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.3 m -84.74 -51.46 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -117.66 100.15 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -55.31 -21.8 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.99 -23.54 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.86 101.88 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.23 94.02 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 58' ' ' PHE . 13.8 t -166.54 166.92 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 95' ' ' HIS . 32.6 p -132.97 131.52 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 40' ' ' TYR . 13.4 mt -40.8 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.02 -74.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.18 149.84 41.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.61 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.396 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -90.49 177.06 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.728 HG21 HD22 ' A' ' 86' ' ' LEU . 43.1 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.792 0.33 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -95.74 104.05 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.54 -32.37 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.777 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 54.0 p -68.98 -1.2 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 -25.7 24.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 m-85 -80.32 150.37 70.7 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.653 0.739 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.83 21.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.609 2.206 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.639 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.5 p-90 -75.64 6.33 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.777 ' CZ ' HG22 ' A' ' 14' ' ' THR . 25.4 t80 -78.63 130.23 35.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -92.71 -62.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 79.49 101.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' GLY . 16.6 t-20 34.29 52.99 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.72 ' HE3' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -84.91 151.5 24.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 25.4 mt-10 -88.18 119.79 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLU . 45.9 ttp180 -37.58 -58.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 18.4 tp60 -47.46 -41.28 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.685 ' O ' HD23 ' A' ' 31' ' ' LEU . 16.3 mt-30 -72.17 -29.28 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.723 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.8 m -76.62 -38.22 55.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.685 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.7 t0 -83.57 -18.53 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 27.6 m-20 -80.84 -31.64 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.72 HD21 ' HE3' ' A' ' 23' ' ' MET . 3.9 pp -92.77 -39.04 11.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' HIS . 19.2 mt -64.8 -52.23 57.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 16.5 pttp -41.0 -38.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -80.93 -29.17 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.5 m-70 -61.33 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -89.94 24.91 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.01 1.49 2.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 HG22 ' CD2' ' A' ' 32' ' ' LEU . 45.8 m -73.4 117.46 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -120.18 167.14 12.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 20' ' ' ALA . 2.0 pp -170.62 164.27 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.7 mp -132.96 110.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.206 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 27.7 ptt85 -102.95 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.854 0.359 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.812 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -121.93 174.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.23 144.85 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 56' ' ' ILE . 13.7 mt -118.34 132.92 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -130.2 134.57 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.759 HD11 HG22 ' A' ' 54' ' ' ILE . 3.1 mp -140.28 138.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 33' ' ' LYS . 42.5 tptt -86.22 104.63 15.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 68.3 t80 -150.76 135.77 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.91 41.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 45.6 35.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 21.6 mt-10 -154.66 131.34 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.685 HG21 ' HA ' ' A' ' 29' ' ' ASP . 55.1 t -82.5 111.72 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.666 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.2 mptt -89.46 129.89 35.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.07 113.87 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.74 148.59 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.18 151.07 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.86 102.2 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.85 136.9 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -130.72 104.52 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -144.38 148.77 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 73' ' ' TRP . 20.2 m-20 55.14 25.93 7.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 71.9 26.35 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 9.5 m95 -117.27 164.22 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -142.34 115.54 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.9 -179.39 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 77' ' ' THR . 13.5 pt -137.83 139.76 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 44.67 25.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 51.28 46.16 26.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.01 -46.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -157.54 137.37 12.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 168.44 9.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 51.9 m-85 -147.39 169.99 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.93 -33.03 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -162.42 170.55 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.812 HD22 ' CD2' ' A' ' 52' ' ' PHE . 31.2 tp -58.32 -25.65 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 11' ' ' ILE . 57.2 tp -70.1 -47.58 61.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.24 -44.84 88.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.0 tt -58.46 -37.79 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 85' ' ' LEU . 63.7 t -72.35 -49.76 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.88 -28.45 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 46.8 t80 -67.14 -51.45 53.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -74.07 -23.22 59.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.715 ' HG3' HD12 ' A' ' 108' ' ' LEU . 35.4 mt-30 -52.02 -23.67 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -123.01 -31.48 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.502 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.28 127.43 44.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.467 ' HA ' HG23 ' A' ' 107' ' ' THR . 33.8 t -51.01 141.22 14.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.53 -6.82 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -47.29 -34.63 6.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -43.21 -53.89 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.458 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.3 t -78.45 -49.48 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.458 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 26.2 m-85 -123.77 97.14 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.99 -34.49 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -64.23 -31.66 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.666 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.1 tp -97.45 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -122.7 94.91 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 6.6 t -168.77 152.32 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -123.88 130.78 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.0 mt -34.41 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -97.67 -74.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -115.44 148.91 41.93 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.611 0.719 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.66 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.83 -175.42 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.881 0.372 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 36.1 t0 -89.42 105.51 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 85' ' ' LEU . 7.6 m-85 -84.32 -20.95 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.695 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 18.7 p -77.11 1.45 18.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.82 -19.94 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.668 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 80.7 m-85 -84.21 149.15 54.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -29.44 24.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.668 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.8 p-90 -78.02 9.08 3.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.695 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.0 OUTLIER -100.29 128.07 46.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.88 -34.9 6.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 -136.42 13.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.6 p30 -74.16 68.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 1.9 tpp -91.69 151.81 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 23' ' ' MET . 36.8 mt-10 -89.51 146.0 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.18 -20.88 57.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.45 -52.19 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' HD23 ' A' ' 31' ' ' LEU . 14.8 tt0 -57.17 -24.83 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.793 HG23 HD21 ' A' ' 41' ' ' LEU . 2.9 m -82.2 -38.19 24.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -80.75 -11.73 59.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -94.66 -30.48 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -89.99 -38.76 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.5 mt -64.15 -50.61 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.81 -24.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . 32.2 t -84.55 -37.19 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 39' ' ' THR . 13.2 m-70 -61.67 -176.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -176.36 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 m -84.93 31.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.53 6.12 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.4 m -84.06 133.21 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -133.48 169.09 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.793 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -171.01 159.06 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.529 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -123.73 109.8 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -106.46 170.11 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 9.1 ptt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 51' ' ' ARG . 14.5 m-85 -158.88 138.23 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.07 152.34 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.077 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.903 HG22 HD11 ' A' ' 56' ' ' ILE . 28.4 mt -119.89 132.97 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -119.39 124.03 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.903 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.1 137.31 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -84.08 125.63 32.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 58.4 t80 -156.89 145.5 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.517 ' OD1' ' CE2' ' A' ' 58' ' ' PHE . 5.3 m120 45.93 54.61 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 43.57 30.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -142.22 143.59 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.6 t -102.9 106.3 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.876 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -83.24 158.32 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -132.46 110.77 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.4 mt -105.73 156.6 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.935 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -115.49 152.85 32.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 74' ' ' ILE . 3.5 t -128.83 90.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.2 p -76.77 162.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.38 103.56 7.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -129.65 149.75 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.568 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.9 m-20 49.03 44.83 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.1 t-20 54.61 29.04 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.7 m95 -130.32 174.75 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 84' ' ' SER . 4.0 mt -136.55 124.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 1.8 p-80 -139.23 171.05 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.935 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.0 pt -131.6 131.71 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 45.07 38.79 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.483 ' H ' ' CD2' ' A' ' 75' ' ' HIS . 48.9 mt-10 46.16 35.91 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.25 -72.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -125.92 131.42 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -95.53 162.67 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ILE . 37.7 m-85 -152.53 170.49 20.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -35.9 64.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.729 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.6 m -156.4 -179.43 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.7 tp -71.02 -43.06 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.23 -46.23 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -52.74 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.2 tt -48.83 -31.9 7.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 108' ' ' LEU . 65.1 t -78.08 -46.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.72 -25.25 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 6.4 t80 -73.61 -48.65 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 76' ' ' ILE . 19.4 m-85 -76.21 -18.32 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.32 -24.94 63.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.37 -24.06 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.9 m170 -103.92 132.11 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 107' ' ' THR . 6.0 t -56.78 148.32 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.2 6.67 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.82 -32.06 73.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -44.24 -39.13 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -101.94 -42.2 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -120.68 86.36 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -41.86 -51.3 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -50.95 -34.37 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.876 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.2 tp -97.01 111.96 23.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.66 82.39 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.56 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.2 t -151.41 161.06 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 96' ' ' SER . 72.9 p -128.66 140.71 51.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.612 ' CD1' HG13 ' A' ' 89' ' ' VAL . 13.4 mt -52.01 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -94.16 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -117.43 150.28 46.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 39' ' ' THR . 54.4 Cg_endo -69.8 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -102.89 -175.02 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.864 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 86' ' ' LEU . 78.7 mt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.71 90.87 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -69.08 -30.4 68.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 14.2 p -69.53 -1.13 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.78 -24.0 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 73.5 m-85 -81.09 148.63 64.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.7 0.762 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.13 25.82 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.7 p-90 -79.23 11.16 3.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.9 t80 -97.75 130.19 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -113.54 -37.98 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.0 -137.82 21.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -71.37 68.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 6.3 ttm -99.94 157.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' MET . 34.8 mt-10 -101.16 144.41 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLN . 37.5 mtm180 -51.58 -56.3 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . 43.9 tt0 -37.93 -60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -59.53 -38.75 81.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.807 HG23 HD21 ' A' ' 41' ' ' LEU . 3.4 m -57.74 -47.51 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.766 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.9 t0 -77.57 -27.5 51.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.49 -31.03 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.08 -31.7 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' HIS . 25.5 mt -75.7 -51.06 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -38.21 -42.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -71.3 -37.03 71.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.7 m-70 -61.56 -179.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.4 -175.24 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.4 p -83.94 18.43 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.17 -1.6 6.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -76.16 126.14 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.675 ' HB3' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -126.61 166.15 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -165.62 158.78 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -122.23 109.93 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 5.5 ptm180 -106.89 172.01 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.879 0.371 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -149.48 146.34 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -151.62 140.32 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 56' ' ' ILE . 33.5 mt -113.82 122.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 64' ' ' HIS . 28.4 t -118.61 126.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -135.81 143.08 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -80.55 111.29 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 58.0 t80 -151.99 140.01 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 72.78 34.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 56.71 25.81 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -151.24 149.6 29.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 ' HA ' ' A' ' 29' ' ' ASP . 54.2 t -81.21 117.78 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 3.8 mmmt -107.92 153.99 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 56.8 m-70 -132.09 150.31 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.9 110.88 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 146.04 54.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -118.62 138.0 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.2 140.21 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -130.58 102.59 6.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -145.06 150.09 36.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 73' ' ' TRP . 14.0 m-20 57.06 29.47 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.3 t30 65.53 32.19 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 24.9 m95 -128.92 153.81 47.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 85' ' ' LEU . 4.7 mt -125.88 124.54 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 3.0 p-80 -154.51 179.03 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 78' ' ' GLU . 6.8 pt -138.8 152.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' THR . 6.8 t 30.66 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' ILE . 6.5 tt0 37.65 49.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -103.2 -49.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 135.08 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -95.79 161.86 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 39.1 m-85 -148.63 158.03 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -53.29 -31.46 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -171.26 -177.57 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 42' ' ' ILE . 58.6 tp -64.98 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.495 ' CB ' HD13 ' A' ' 11' ' ' ILE . 58.6 tp -64.71 -49.39 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.11 -42.44 99.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -57.75 -39.95 78.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 108' ' ' LEU . 28.1 t -72.5 -47.17 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.65 -23.18 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 16.0 t80 -75.61 -50.04 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.5 m-85 -74.72 -21.81 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -54.97 -24.79 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 59.5 m -123.43 -28.17 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.485 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.3 m170 -100.68 134.91 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -59.11 155.67 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -91.07 6.95 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -60.29 -41.36 93.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.49 -44.05 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 m -81.18 -47.46 13.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -126.15 104.85 8.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.16 -21.44 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.94 -20.16 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 2.0 tp -111.89 105.82 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 4.7 m-20 -121.0 94.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -165.37 169.45 15.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.446 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.6 p -134.1 131.94 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.617 HD13 ' CE2' ' A' ' 40' ' ' TYR . 7.6 mt -44.41 104.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 29.2 mttt -94.35 -74.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 5.2 m-85 -113.47 147.45 37.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -171.31 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.876 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG21 HD22 ' A' ' 86' ' ' LEU . 4.9 mp . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.781 0.324 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.5 92.94 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.18 -25.52 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 p -73.03 0.99 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.64 -28.72 19.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 67.3 m-85 -76.83 149.12 80.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.64 27.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.7 p-90 -82.05 14.07 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.6 t80 -89.41 127.32 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -103.58 -47.85 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 -149.18 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.78 54.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.8 158.81 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -79.63 131.72 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -50.83 -50.62 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.12 -49.91 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -58.92 -46.19 88.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.691 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.5 m -61.95 -48.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.87 ' HA ' HG11 ' A' ' 62' ' ' VAL . 36.1 t0 -63.37 -27.89 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -81.74 -65.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.91 -38.57 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HG13 ' A' ' 62' ' ' VAL . 8.7 mt -58.36 -33.89 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 37.4 mtpt -61.22 -44.83 96.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -66.75 -2.96 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.29 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.04 -178.33 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.8 p -85.69 15.43 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.62 -2.12 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.6 m -73.72 125.93 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 108' ' ' LEU . 16.3 p90 -127.1 169.06 13.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.5 pp -169.21 164.41 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.701 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -127.26 115.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.35 168.11 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.9 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -124.22 160.16 28.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.15 160.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 56' ' ' ILE . 2.8 mt -119.04 144.45 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.3 m -137.81 117.68 13.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.9 mp -131.93 145.32 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 41.9 tptt -89.0 106.96 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 23.5 t80 -150.87 140.63 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 33.9 t30 66.53 33.58 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 53.5 27.79 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -145.82 132.22 19.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.87 HG11 ' HA ' ' A' ' 29' ' ' ASP . 76.1 t -81.8 109.57 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 27.2 mmtt -92.91 149.31 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 66' ' ' LYS . 73.2 mt -87.13 156.21 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -108.59 128.48 54.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -104.48 102.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 127.93 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.2 103.87 9.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -145.31 149.24 34.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.1 37.22 28.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.408 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 9.7 t-20 59.63 34.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.8 m95 -128.35 160.39 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 mt -138.07 125.41 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.1 p80 -167.72 -175.09 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.0 pt -137.64 154.77 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' ALA . 7.0 t 31.86 36.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ILE . 21.8 mt-10 34.33 49.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.63 -33.42 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -163.57 127.08 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -83.42 141.79 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 28.5 m-85 -128.86 156.44 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.96 -29.88 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -166.09 -178.83 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.3 tp -68.43 -29.01 67.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 11' ' ' ILE . 19.8 tp -62.5 -48.43 79.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.2 tt -62.03 -37.0 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 85' ' ' LEU . 57.4 t -78.51 -46.0 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.81 -23.42 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 11.2 t80 -72.43 -49.9 30.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.4 m-85 -75.89 -19.65 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HG3' HD12 ' A' ' 108' ' ' LEU . 30.1 mt-30 -57.78 -23.2 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 41.4 t -124.06 -26.87 3.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.488 ' C ' HG22 ' A' ' 107' ' ' THR . 1.1 m170 -103.19 131.19 50.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.5 ' HA ' HG23 ' A' ' 107' ' ' THR . 13.1 t -54.11 148.03 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 92' ' ' TYR . 13.6 mt -78.13 -7.04 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.2 pttp -45.24 -44.62 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 7.2 mm-40 -38.0 -50.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 m -76.27 -56.37 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -118.16 107.59 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -56.42 -18.84 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -86.75 -17.99 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp -108.05 106.15 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -119.29 94.39 4.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 t -168.57 158.83 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 96' ' ' SER . 21.4 p -128.06 130.74 48.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.7 mt -39.65 102.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -92.41 -74.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -115.19 151.7 46.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.642 0.734 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.827 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.78 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.9 p90 -105.4 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' TYR . 1.6 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.866 0.365 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.755 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 26.0 t0 -89.78 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -74.48 -28.37 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.787 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.8 p -75.34 4.12 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -91.57 -25.09 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.9 m-85 -82.04 150.48 65.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.749 0.785 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -29.4 24.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.667 ' CE3' HD13 ' A' ' 42' ' ' ILE . 11.2 p-90 -78.58 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CZ ' HG22 ' A' ' 14' ' ' THR . 20.0 t80 -82.56 130.41 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -92.58 -52.13 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.601 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 74.31 92.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.522 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 47.09 49.16 15.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.801 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -80.09 152.05 29.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 23' ' ' MET . 1.3 pt-20 -97.07 119.29 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' GLU . 27.7 ttm180 -34.2 -44.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -53.92 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -55.46 -35.05 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 1.045 HG23 HD21 ' A' ' 41' ' ' LEU . 4.2 m -64.76 -49.75 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.48 -16.51 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.97 -28.61 17.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 0.6 OUTLIER -92.46 -40.42 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 20.4 mt -66.07 -49.53 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.54 -36.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -78.32 -41.57 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.04 177.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.42 -174.94 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.3 m -88.7 26.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.08 1.26 2.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 111' ' ' PRO . 82.0 m -80.51 113.98 19.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.624 ' HB3' HG23 ' A' ' 56' ' ' ILE . 28.9 p90 -113.48 158.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.045 HD21 HG23 ' A' ' 28' ' ' THR . 1.3 pp -155.14 163.47 40.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.667 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.1 mp -133.71 115.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.704 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -101.45 169.68 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.942 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -109.78 158.97 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.91 156.51 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.624 HD11 HD22 ' A' ' 88' ' ' LEU . 14.0 mt -122.65 144.42 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.445 ' OG ' ' NE ' ' A' ' 43' ' ' ARG . 1.5 m -137.88 117.68 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -125.83 169.17 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 56' ' ' ILE . 18.3 tptm -115.91 112.71 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -142.85 150.34 39.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 54.5 35.32 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 59.61 31.08 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -142.67 158.41 43.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 t -107.99 106.81 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.78 149.7 22.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 72.9 m-70 -123.94 127.94 48.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.8 mt -113.64 107.95 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 76' ' ' ILE . 5.6 pttp -72.01 141.74 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 74' ' ' ILE . 44.5 t -105.24 131.88 53.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -108.06 134.22 50.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -116.03 106.01 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -140.18 146.82 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 75.2 m-20 56.97 38.93 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 79.5 m-20 56.72 39.06 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 39.7 m95 -143.52 162.04 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 84' ' ' SER . 5.2 mt -123.14 127.41 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.36 169.0 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 77' ' ' THR . 33.8 pt -129.15 133.44 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.5 t 46.45 24.92 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 61.9 40.56 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.76 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 81' ' ' LYS . 7.9 tptp -143.03 144.93 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -103.74 142.85 33.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -133.56 159.21 41.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.75 -18.11 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.654 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.4 m -173.92 -179.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 HG21 ' A' ' 42' ' ' ILE . 18.2 tp -63.71 -52.91 58.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -41.53 -50.99 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.99 -45.84 68.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 54' ' ' ILE . 8.9 tt -58.32 -41.48 84.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 108' ' ' LEU . 87.4 t -68.46 -57.13 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -51.51 -33.22 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.483 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 36.1 t80 -65.81 -47.93 73.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.416 ' CD2' HD21 ' A' ' 97' ' ' LEU . 22.9 m-85 -76.83 -21.29 55.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 108' ' ' LEU . 17.8 mt-30 -56.51 -20.19 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.34 -30.06 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -101.25 133.04 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.421 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 31.7 t -58.54 153.31 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.5 mt -84.74 8.96 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.5 pttp -58.82 -40.93 85.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.0 mm-40 -49.03 -47.8 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 m -71.27 -45.47 63.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.4 117.8 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -11.03 11.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.38 -10.32 23.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -114.68 100.82 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.92 92.26 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.5 t -163.11 166.83 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 43.6 p -138.14 130.91 29.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.772 HD12 ' HG2' ' A' ' 93' ' ' GLN . 11.5 mt -41.54 105.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -95.25 -66.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.93 151.53 55.03 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.903 ' O ' HG23 ' A' ' 39' ' ' THR . 53.6 Cg_endo -69.82 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.631 2.22 . . . . 0.0 112.375 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 19' ' ' PHE . 1.6 p90 -99.66 -174.32 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.529 HG21 HD22 ' A' ' 86' ' ' LEU . 22.3 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.01 111.82 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -82.2 -30.94 30.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.734 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.5 p -72.28 2.37 6.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 -20.85 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.686 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.1 m-85 -84.77 149.31 53.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.69 25.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.686 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.1 p-90 -81.06 15.6 1.81 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.734 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.6 t80 -92.62 117.49 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -72.83 -66.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . 98.62 73.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.3 p30 36.71 45.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.552 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.0 ptm -69.77 -176.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -87.9 141.59 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.29 -53.9 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 27' ' ' GLN . 10.3 pt20 -56.26 -41.12 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 12.8 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.748 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.7 m -63.05 -51.26 67.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.35 -14.02 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 51.4 m-20 -86.72 -32.21 20.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.5 pp -93.13 -33.49 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.6 mt -67.74 -49.76 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' SER . 13.3 pttm -41.09 -41.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 27.2 t -73.45 -39.95 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CD2' HG21 ' A' ' 39' ' ' THR . 17.6 m-70 -51.01 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.98 -177.01 6.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.0 p -86.74 34.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.52 13.73 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' PRO . 16.7 m -84.52 124.53 31.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -121.26 155.84 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.748 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.3 pp -154.63 160.9 41.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.444 HG21 HD21 ' A' ' 85' ' ' LEU . 2.6 mp -133.93 109.89 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 48.3 ptt85 -114.12 174.07 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 8.2 mmm-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 9.4 m-85 -165.34 130.16 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.94 131.59 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.475 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -101.22 123.24 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -116.2 124.56 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 mp -129.94 136.47 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -84.05 110.44 18.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -151.04 130.0 12.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 73.53 44.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 48.18 31.15 2.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.57 133.08 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.96 101.6 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.535 ' HE2' HD12 ' A' ' 104' ' ' LEU . 7.4 mptt -83.93 131.31 34.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -110.68 114.83 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 76' ' ' ILE . 5.0 mp -98.5 156.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 76' ' ' ILE . 7.2 ptmt -104.79 160.46 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.945 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 74' ' ' ILE . 85.5 t -134.98 96.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 75' ' ' HIS . 7.6 p -80.87 157.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.55 102.93 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -138.06 149.95 46.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.25 24.99 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 70.24 31.53 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -128.79 173.28 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.525 HG23 HG13 ' A' ' 67' ' ' VAL . 2.9 mt -138.83 114.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.573 ' CE1' HG11 ' A' ' 68' ' ' VAL . 3.3 p-80 -138.13 176.68 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 66' ' ' LYS . 33.3 pt -137.13 146.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 77' ' ' THR . 1.3 t 32.01 35.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.6 mt-10 44.0 50.98 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.15 -36.17 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -174.61 132.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 75' ' ' HIS . 11.5 mmtt -91.08 137.28 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.1 m-85 -128.23 141.19 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 14.9 t0 -36.77 -37.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 m -165.49 -176.95 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 42' ' ' ILE . 46.5 tp -61.89 -54.87 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 11' ' ' ILE . 45.2 tp -39.8 -53.4 2.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -56.38 -51.5 68.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -52.05 -46.08 64.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.6 t -63.08 -51.21 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.443 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.5 t80 -57.83 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.56 -32.05 67.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 108' ' ' LEU . 39.4 mt-30 -44.84 -25.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.3 m -119.07 -33.21 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.505 ' C ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -97.37 129.07 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -52.91 151.24 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.69 20.27 2.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -71.09 -37.23 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -51.04 -41.05 59.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -85.0 -53.26 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -119.98 113.69 20.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -61.33 -38.89 88.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.03 -20.96 65.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 63' ' ' LYS . 1.7 tp -109.67 115.22 29.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -130.64 95.54 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -172.54 174.07 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.505 HG22 ' C ' ' A' ' 95' ' ' HIS . 55.2 p -134.0 132.42 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 93' ' ' GLN . 6.4 mt -34.84 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -90.56 -73.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.85 149.09 41.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 39' ' ' THR . 53.5 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -95.55 170.05 9.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.877 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.875 0.369 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 37.6 t0 -98.72 105.81 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.36 -23.9 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.647 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.9 p -76.99 5.38 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.32 -23.16 16.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 68.8 m-85 -77.72 149.82 78.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -24.68 29.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.266 . . . . 0.0 112.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.9 p-90 -84.6 14.77 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 t80 -94.4 129.13 41.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 95.91 97.39 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 21' ' ' GLY . 1.6 p30 33.22 54.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.589 ' HE3' HD21 ' A' ' 31' ' ' LEU . 24.1 ttp -75.06 156.02 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 133.33 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -42.79 -67.71 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -49.51 -47.53 48.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.6 tt0 -56.1 -20.73 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.624 ' CG2' HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.61 -44.88 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.633 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -77.02 -14.14 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -94.23 -34.83 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.671 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -84.44 -24.97 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD23 ' A' ' 41' ' ' LEU . 15.5 mt -82.31 -30.94 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.92 -33.23 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -75.81 -23.89 55.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -80.69 177.34 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -179.5 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -82.59 16.54 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.54 5.2 6.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -82.64 125.17 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.635 ' HB3' HG23 ' A' ' 56' ' ' ILE . 19.7 p90 -121.37 166.26 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 28' ' ' THR . 1.1 pp -163.26 157.17 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.2 mp -124.84 119.92 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HG2' HD11 ' A' ' 41' ' ' LEU . 7.8 mtp180 -96.16 170.75 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.99 161.05 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' A' ' 67' ' ' VAL . . . -147.5 149.44 32.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 88' ' ' LEU . 29.1 mt -122.83 120.51 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -118.02 126.45 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -134.71 147.56 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -87.94 120.08 28.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 90.0 t80 -156.87 140.92 16.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 63.96 36.69 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 52.94 28.21 6.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -147.29 133.03 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.633 HG21 ' HA ' ' A' ' 29' ' ' ASP . 81.9 t -73.78 117.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.638 ' HG3' HD11 ' A' ' 104' ' ' LEU . 18.9 mmtm -102.22 144.6 30.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.4 131.78 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.2 mt -121.29 98.01 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -64.22 148.01 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG23 ' HA ' ' A' ' 53' ' ' ALA . 12.3 t -123.6 146.3 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.459 HG21 ' NE2' ' A' ' 75' ' ' HIS . 18.9 m -121.68 155.71 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.33 102.36 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -133.32 149.81 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 53.6 35.65 21.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 33.1 m120 60.13 35.21 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.7 m95 -134.4 173.96 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.92 129.56 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.459 ' NE2' HG21 ' A' ' 68' ' ' VAL . 23.7 p-80 -152.25 -177.72 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.4 pt -143.69 143.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.9 t 38.56 27.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' ILE . 48.1 mt-10 48.61 45.52 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.95 -44.35 6.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 1.3 tppp? -153.26 139.0 17.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -99.86 126.39 45.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 34.7 m-85 -120.35 147.98 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.31 -29.22 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -170.07 179.81 3.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.9 tt -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.0 tp -48.7 -51.33 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.57 -38.7 92.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.1 tt -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 85' ' ' LEU . 26.0 t -78.28 -48.16 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.585 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 52.3 t80 -69.18 -48.92 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.94 -21.09 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.474 HE21 HG12 ' A' ' 89' ' ' VAL . 33.1 mt-30 -56.41 -22.06 29.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.2 m -125.07 -28.75 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -101.24 130.43 47.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 6.7 t -55.14 149.41 12.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.88 12.09 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -68.89 -32.11 71.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -48.82 -46.69 42.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -84.78 -47.36 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -125.32 96.93 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -45.2 -51.47 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -54.02 -30.74 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.638 HD11 ' HG3' ' A' ' 63' ' ' LYS . 1.4 tp -95.55 107.86 20.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 9.7 t70 -123.39 101.72 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.1 t -171.79 161.61 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 71.0 p -133.03 133.11 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' ' 40' ' ' TYR . 7.0 mt -45.07 107.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 57.2 mttt -100.08 -71.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 1.6 m-85 -112.81 147.8 37.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.717 0.77 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -172.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.77 -174.91 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.818 0.342 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -75.24 91.49 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -76.02 -35.89 59.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.875 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 65.6 p -61.32 -8.9 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -26.98 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 61.0 m-85 -77.07 147.3 76.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.715 0.769 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -31.93 19.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 p-90 -72.14 1.77 6.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.875 ' CZ ' HG22 ' A' ' 14' ' ' THR . 9.8 t80 -84.09 134.91 34.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.22 -49.81 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.07 -144.35 18.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 22.4 t30 -94.48 54.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ptm -74.18 -175.39 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -108.12 140.05 41.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -44.26 -52.64 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -52.0 -50.39 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.7 -44.6 63.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.951 HG23 HD21 ' A' ' 41' ' ' LEU . 16.0 m -58.77 -50.76 72.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.58 ' CG ' HG11 ' A' ' 62' ' ' VAL . 8.0 t0 -68.26 -29.53 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 54.2 m-20 -72.47 -36.62 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 35' ' ' HIS . 2.1 pp -89.19 -27.84 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 28' ' ' THR . 22.1 mt -79.7 -47.99 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 19.6 ptmt -35.74 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 38.9 t -88.8 -41.62 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.605 ' CG ' HG21 ' A' ' 39' ' ' THR . 19.9 m-70 -46.14 171.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.95 -174.79 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -87.18 30.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 9.09 1.07 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.605 HG21 ' CG ' ' A' ' 35' ' ' HIS . 52.9 m -82.86 126.11 32.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 17.8 p90 -126.29 164.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.951 HD21 HG23 ' A' ' 28' ' ' THR . 1.1 pp -169.58 159.06 8.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -123.86 123.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.08 174.09 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 1.9 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -104.82 143.76 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 65' ' ' ILE . . . -141.74 162.68 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.845 HG22 HD11 ' A' ' 56' ' ' ILE . 48.9 mt -131.51 130.47 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.493 ' CB ' HG21 ' A' ' 28' ' ' THR . 1.4 t -121.38 129.56 53.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.845 HD11 HG22 ' A' ' 54' ' ' ILE . 2.7 mp -140.59 130.02 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -80.0 112.28 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE2' ' CG ' ' A' ' 59' ' ' ASN . 85.3 t80 -145.3 155.37 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.459 ' CG ' ' CE2' ' A' ' 58' ' ' PHE . 23.2 m-20 52.22 38.35 24.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t0 56.62 26.6 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.34 125.77 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' CG ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -71.24 115.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 104' ' ' LEU . 49.7 mmtt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -113.78 128.31 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 45.1 mt -116.43 153.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 65' ' ' ILE . 40.3 pttt -119.8 137.62 53.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 76' ' ' ILE . 40.2 t -100.49 151.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.8 t -133.04 130.46 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 102.86 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -134.69 150.11 50.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.5 t70 53.34 41.24 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.62 25.28 11.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.7 m95 -128.8 166.77 18.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.98 130.47 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -158.08 177.39 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 HD11 ' A' ' 88' ' ' LEU . 19.9 pt -131.0 137.67 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 76' ' ' ILE . 7.0 t 42.86 25.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 54.25 45.85 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.09 -48.94 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 5.6 tmtm? -148.98 122.5 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 9.0 ptpt -78.86 121.05 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE1' ' HD2' ' A' ' 80' ' ' LYS . 48.8 m-85 -116.85 170.79 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -31.09 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -152.66 175.15 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.7 -24.67 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.83 -46.24 79.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.25 -40.46 96.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.7 tt -60.31 -35.84 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -75.91 -49.12 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.23 -34.05 75.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.4 t80 -56.67 -55.79 29.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.89 -34.02 72.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.818 ' HG3' HD12 ' A' ' 108' ' ' LEU . 48.6 mt-30 -42.28 -25.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 m -118.61 -31.43 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.501 ' C ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -100.68 127.64 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -51.75 146.46 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' A' ' 104' ' ' LEU . 3.1 mt -79.9 12.18 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -66.42 -36.44 82.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.22 -47.41 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 p -78.46 -43.87 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -129.22 104.5 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.02 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.89 -19.67 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 63' ' ' LYS . 7.5 tp -109.26 106.0 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -119.03 91.28 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -172.29 157.71 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.501 HG22 ' C ' ' A' ' 95' ' ' HIS . 41.6 p -123.67 131.79 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.818 HD12 ' HG3' ' A' ' 93' ' ' GLN . 12.1 mt -34.56 103.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -93.05 -74.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -112.71 147.26 36.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.753 0.787 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.77 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.404 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -92.55 -174.93 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.814 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.497 HG21 HD22 ' A' ' 86' ' ' LEU . 53.5 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.762 0.315 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.22 105.79 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -84.45 -27.05 27.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.077 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 74.7 p -70.73 -3.81 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.48 -30.81 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 61.2 m-85 -73.39 145.47 85.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.708 0.766 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -28.24 25.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.3 p-90 -77.89 5.16 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.077 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.1 t80 -94.76 128.0 41.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -94.92 -61.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 112.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.1 t30 40.25 53.24 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 4.1 ttm -89.35 155.9 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.52 147.03 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -28.13 67.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -80.76 -46.19 15.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -57.23 -37.78 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.705 HG23 HD21 ' A' ' 41' ' ' LEU . 1.6 m -63.91 -50.62 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' HA ' HG21 ' A' ' 62' ' ' VAL . 9.3 t0 -73.83 -13.0 60.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -86.71 -33.58 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HD2' ' A' ' 35' ' ' HIS . 1.2 pp -92.64 -38.19 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 14.6 mt -65.35 -49.05 70.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -37.47 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -79.63 -32.5 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.703 ' HD2' HD12 ' A' ' 31' ' ' LEU . 17.3 m-70 -62.23 -177.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.26 -174.91 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 m -87.37 22.65 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -3.97 3.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -71.81 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.882 ' CE2' HD13 ' A' ' 108' ' ' LEU . 14.0 p90 -128.61 167.42 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 28' ' ' THR . 2.8 pp -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 85' ' ' LEU . 2.7 mp -132.71 117.05 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG2' ' CD1' ' A' ' 41' ' ' LEU . 9.5 mtm-85 -103.07 164.83 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.787 0.327 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 85' ' ' LEU . 6.0 m-85 -157.4 153.26 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -150.07 156.27 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.817 HG22 HD11 ' A' ' 56' ' ' ILE . 18.0 mt -133.68 112.51 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -114.86 118.48 33.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -128.77 135.04 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -80.28 118.79 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -158.96 133.75 8.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 73.06 28.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.56 32.73 21.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -151.57 123.38 8.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 29' ' ' ASP . 69.0 t -74.92 108.62 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' A' ' 104' ' ' LEU . 29.3 mmtt -91.48 144.47 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.32 115.82 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -109.72 107.15 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -75.51 135.11 40.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.495 ' HA ' HG22 ' A' ' 76' ' ' ILE . 75.7 t -91.59 137.26 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.04 135.75 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HG2' ' CG1' ' A' ' 74' ' ' ILE . 8.2 mt-10 -124.87 102.4 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -139.2 150.04 45.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 52.91 44.36 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 52.97 38.52 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -131.38 174.27 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.7 mt -146.28 125.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.4 p80 -165.21 -175.02 3.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' GLU . 41.3 pt -137.62 153.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.8 t 29.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 76' ' ' ILE . 3.1 mp0 36.48 50.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.4 -39.47 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -158.98 122.66 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -82.06 121.96 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 80' ' ' LYS . 44.0 m-85 -114.09 169.61 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -36.92 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -151.88 178.54 9.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.8 tp -69.7 -27.14 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 11' ' ' ILE . 37.9 tp -62.49 -51.45 67.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.08 -40.03 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -60.51 -34.1 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG13 ' CD1' ' A' ' 108' ' ' LEU . 94.5 t -81.14 -50.54 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.78 -21.63 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.451 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 67.1 t80 -74.59 -49.76 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -74.3 -27.8 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.89 -24.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.96 -33.7 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.457 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.0 127.34 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 5.3 t -53.15 158.25 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 104' ' ' LEU . 3.9 mt -84.58 -5.82 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 31.5 pttt -47.15 -43.64 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 41.5 mt-10 -45.4 -48.06 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.7 m -81.82 -42.94 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -133.37 96.2 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -50.35 6.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.09 -33.4 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.514 HD13 ' HG3' ' A' ' 63' ' ' LYS . 4.1 tp -98.39 111.16 23.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.33 92.33 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -166.52 165.25 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 95' ' ' HIS . 49.9 p -132.61 130.67 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' CE2' ' A' ' 40' ' ' TYR . 9.7 mt -33.93 102.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -91.16 -74.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -116.95 148.34 41.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -169.66 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -102.03 -175.0 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.5 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.861 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 57.3 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.838 0.351 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 36.0 t0 -83.92 88.53 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 13.1 m-85 -71.65 -27.88 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.045 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 52.4 p -69.0 -2.54 10.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -88.29 -26.39 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 72.5 m-85 -81.33 147.48 60.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.95 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.3 p-90 -74.46 4.32 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.045 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.0 t80 -95.3 129.53 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . . . -99.53 -54.29 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.62 115.13 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 24.8 t30 39.73 48.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.951 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.577 ' HE1' HD21 ' A' ' 31' ' ' LEU . 5.4 ttm -80.89 162.47 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 23' ' ' MET . 28.0 mt-10 -91.56 124.87 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -47.54 -59.12 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 8.9 tp60 -47.42 -53.46 13.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.9 tt0 -56.13 -34.04 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.801 HG23 HD21 ' A' ' 41' ' ' LEU . 1.8 m -64.98 -46.99 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -79.88 -15.26 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 79.7 m-20 -91.98 -29.2 16.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD21 ' HE1' ' A' ' 23' ' ' MET . 1.8 pp -92.12 -31.02 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 35' ' ' HIS . 53.3 mt -77.38 -49.48 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -40.39 -38.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -78.03 -33.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CD2' HG21 ' A' ' 39' ' ' THR . 15.2 m-70 -59.2 -176.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.14 -174.74 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -88.16 28.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.4 8.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 111' ' ' PRO . 99.0 m -84.85 118.63 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CE2' HD13 ' A' ' 108' ' ' LEU . 13.8 p90 -119.81 166.68 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.801 HD21 HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -168.2 161.0 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -129.48 122.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -131.75 165.62 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -158.14 146.16 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.64 145.23 24.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -110.07 127.22 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -119.52 118.41 30.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -133.96 136.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.119 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -83.29 125.27 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -161.69 145.63 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.3 t30 52.75 46.96 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 48.74 25.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -143.11 140.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.05 106.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -85.13 130.39 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -105.28 108.67 20.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.459 HG12 ' CE1' ' A' ' 101' ' ' PHE . 83.4 mt -89.29 152.66 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 65' ' ' ILE . 16.4 pttt -116.57 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.597 ' HA ' HG22 ' A' ' 76' ' ' ILE . 97.8 t -102.95 155.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.449 ' N ' HG12 ' A' ' 67' ' ' VAL . 21.4 m -139.6 156.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -131.4 108.3 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -138.43 150.07 46.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 52.36 32.58 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 64.87 31.74 11.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.477 ' CZ3' ' N ' ' A' ' 83' ' ' ASP . 38.8 m95 -129.96 174.61 9.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.5 mt -139.5 128.21 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.03 -175.62 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 77' ' ' THR . 19.4 pt -141.87 137.5 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 76' ' ' ILE . 9.2 t 48.42 25.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 58.69 43.96 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.47 -75.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 5.8 tptp -134.76 138.39 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 112.37 24.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 41.5 m-85 -108.26 137.29 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.477 ' N ' ' CZ3' ' A' ' 73' ' ' TRP . 11.4 t70 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.8 m -164.91 -175.82 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 42' ' ' ILE . 56.8 tp -61.49 -55.94 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' LEU . 66.4 tp -37.14 -51.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.06 -50.66 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -52.68 -36.47 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -51.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.22 -27.98 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 85.2 t80 -65.72 -53.43 41.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 97' ' ' LEU . 42.8 m-85 -71.08 -26.44 63.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' A' ' 108' ' ' LEU . 13.3 mt-30 -48.01 -26.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.0 m -119.44 -30.36 4.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.38 131.46 45.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.0 OUTLIER -50.39 160.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 92' ' ' TYR . 9.0 mt -101.59 17.36 23.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 5.8 ptpt -65.68 -44.66 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 8.8 mp0 -38.56 -52.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 101' ' ' PHE . 9.8 t -74.49 -56.42 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' OG ' ' A' ' 100' ' ' SER . 46.7 m-85 -117.12 106.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -60.37 -14.96 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -95.83 0.81 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 5.8 tp -127.84 79.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -97.25 86.21 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -161.25 171.58 18.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.453 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -133.5 134.65 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.6 HD13 ' CE2' ' A' ' 40' ' ' TYR . 17.2 mt -38.98 112.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -104.55 -74.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.75 148.36 39.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.653 0.739 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 39' ' ' THR . 53.2 Cg_endo -69.74 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -87.21 -174.59 4.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.455 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 5.2 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 86' ' ' LEU . 40.7 mt . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.903 0.382 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -87.99 104.38 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -88.27 -33.89 17.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.2 p -60.83 -13.45 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.52 56.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.652 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 63.3 m-85 -74.86 148.13 84.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -29.11 24.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.6 p-90 -78.08 10.16 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 14' ' ' THR . 14.9 t80 -84.23 131.81 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.799 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -119.93 -39.45 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 74.07 -143.89 32.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -63.54 76.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.574 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.3 tpp -100.83 150.7 22.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HG3' ' CB ' ' A' ' 27' ' ' GLN . 9.5 pt-20 -96.43 128.71 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.623 ' N ' HH22 ' A' ' 43' ' ' ARG . 4.5 tmm_? -40.85 -46.35 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 27' ' ' GLN . 8.7 pt20 -52.84 -54.0 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.493 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 8.6 tt0 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.805 HG22 HD12 ' A' ' 32' ' ' LEU . 4.2 m -60.03 -50.2 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.579 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.4 t70 -72.78 -35.42 67.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.8 -32.17 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 23' ' ' MET . 1.5 pp -93.15 -36.45 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.805 HD12 HG22 ' A' ' 28' ' ' THR . 35.3 mt -71.48 -47.03 58.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 34' ' ' SER . 15.6 ptmt -41.41 -46.45 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 1.3 t -67.89 -40.32 83.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 39' ' ' THR . 13.4 m-70 -53.67 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.45 -175.16 3.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.5 m -84.04 24.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.406 ' CA ' ' HE2' ' A' ' 109' ' ' LYS . . . -132.33 -7.68 2.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 111' ' ' PRO . 98.9 m -73.49 128.38 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 108' ' ' LEU . 12.4 p90 -134.39 163.06 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -160.21 166.49 29.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.817 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.3 mp -126.18 109.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.623 HH22 ' N ' ' A' ' 25' ' ' ARG . 5.8 ptm180 -99.65 166.73 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HG2' ' CD2' ' A' ' 52' ' ' PHE . 9.3 ttm180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 29.1 m-85 -133.76 158.36 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' HB3' ' CG ' ' A' ' 43' ' ' ARG . . . -148.03 159.06 44.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 56' ' ' ILE . 25.3 mt -134.83 124.07 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -117.61 127.32 53.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.18 138.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -82.66 128.65 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 104' ' ' LEU . 47.2 t80 -173.33 145.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 60.58 45.83 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 44.92 28.43 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -151.13 133.64 15.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.579 HG21 ' HA ' ' A' ' 29' ' ' ASP . 93.3 t -81.29 114.72 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG3' HD13 ' A' ' 104' ' ' LEU . 31.1 mmtm -88.82 150.7 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -137.47 117.16 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.29 149.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -103.88 103.57 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 76' ' ' ILE . 69.8 t -78.07 95.04 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.74 153.66 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -133.14 104.8 6.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.2 149.98 50.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.8 m-20 52.98 38.63 27.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.602 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 3.8 t30 58.95 29.7 19.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 14.5 m95 -129.26 167.26 17.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.513 HG23 ' CG1' ' A' ' 67' ' ' VAL . 4.5 mt -132.63 127.6 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.4 170.7 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 67' ' ' VAL . 37.4 pt -138.69 147.0 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.5 t 39.61 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' ILE . 31.9 mt-10 46.22 48.94 12.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.51 -47.47 5.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -161.02 136.85 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -89.57 134.14 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.5 m-85 -123.47 140.71 52.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 24.2 t70 -36.34 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.2 m -174.73 -176.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 89' ' ' VAL . 19.5 tp -59.12 -44.27 92.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 11' ' ' ILE . 57.9 tp -50.25 -56.66 10.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.65 -51.96 61.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.602 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.7 tt -49.52 -42.57 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 108' ' ' LEU . 57.9 t -69.34 -50.79 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.83 -26.76 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 77.6 t80 -66.59 -54.95 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.694 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.3 m-85 -70.93 -24.89 62.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.19 -24.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -123.02 -31.0 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.2 128.71 44.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -50.17 153.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.3 mt -91.88 20.05 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 38.3 pttt -71.13 -44.45 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -36.81 -53.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -76.43 -53.39 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -116.73 99.19 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -52.36 -26.55 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 5.3 pt20 -79.74 -23.01 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.765 HD13 ' HG3' ' A' ' 63' ' ' LYS . 8.9 tp -104.22 103.39 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.45 94.94 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 t -171.53 169.29 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.52 HG22 ' C ' ' A' ' 95' ' ' HIS . 36.8 p -132.62 130.88 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 40' ' ' TYR . 8.2 mt -34.36 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HE2' ' CA ' ' A' ' 38' ' ' GLY . 13.5 mtmm -88.9 -75.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.81 152.85 49.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.697 0.761 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' ' 39' ' ' THR . 53.4 Cg_endo -69.78 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.9 -175.01 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.876 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -96.04 102.57 14.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -80.95 -28.52 35.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 47.2 p -70.23 -8.75 52.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.24 -25.67 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.678 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 62.2 m-85 -73.78 146.8 85.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.74 . . . . 0.0 111.015 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.678 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 16.7 p-90 -79.79 13.33 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.3 t80 -96.49 128.65 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -89.87 -62.16 1.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 93.56 108.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.3 m-80 34.09 42.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -80.06 150.25 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 23' ' ' MET . 51.2 mm-40 -86.64 142.42 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -54.89 -48.25 73.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -54.19 -60.57 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -47.73 -49.34 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 32' ' ' LEU . 52.3 m -50.39 -53.59 28.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.657 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 t0 -68.81 -22.06 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -75.79 -37.36 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.3 -30.88 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 28' ' ' THR . 14.5 mt -72.72 -48.26 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -39.6 -41.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 m -75.67 -39.98 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.612 ' CD2' HG21 ' A' ' 39' ' ' THR . 6.4 m-70 -48.62 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -175.99 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 m -88.15 36.45 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.23 14.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.612 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.8 m -85.41 115.49 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 108' ' ' LEU . 22.3 p90 -116.14 162.92 16.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.958 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -171.4 170.93 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.958 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -137.35 125.35 32.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' NH2' ' ND1' ' A' ' 64' ' ' HIS . 5.6 ptt-85 -134.77 172.21 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.898 0.38 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' HD22 ' A' ' 85' ' ' LEU . 4.1 m-30 -110.93 149.8 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -149.98 123.37 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 56' ' ' ILE . 18.2 mt -95.93 123.26 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -117.66 125.46 50.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 54' ' ' ILE . 4.1 mp -130.81 143.3 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 61' ' ' GLU . 12.9 tptm -98.62 101.58 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 106' ' ' THR . 8.1 t80 -140.21 133.44 29.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 9.9 t30 74.27 31.03 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t0 60.25 31.33 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 12.1 mt-10 -150.18 128.25 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 29' ' ' ASP . 94.9 t -80.26 112.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.709 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -95.77 129.62 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.49 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 96.7 m-70 -107.82 110.06 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.26 103.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -59.26 147.09 36.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.36 126.96 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.3 t -96.49 132.22 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.41 102.24 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -141.43 141.89 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.45 ' CG ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 m-20 57.62 39.99 27.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.7 m-20 57.17 32.91 22.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.541 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.4 m95 -128.52 150.61 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.4 mt -127.24 129.77 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 5.6 p80 -166.87 -175.06 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' GLU . 39.4 pt -140.08 157.01 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 30.86 36.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 76' ' ' ILE . 44.0 mt-10 37.02 52.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.49 -34.92 11.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 2.8 tppt? -174.33 124.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 133.54 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -122.89 145.91 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -41.26 -37.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -175.51 -175.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.3 tp -54.44 -44.33 72.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.1 tp -51.17 -55.27 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.29 -50.74 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.8 tt -57.17 -39.83 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 85' ' ' LEU . 90.7 t -65.62 -51.09 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.68 -40.79 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.449 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 33.5 t80 -54.72 -51.99 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.42 -31.02 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.865 ' HG2' HD12 ' A' ' 108' ' ' LEU . 12.5 mm-40 -48.87 -19.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.0 m -125.9 -33.0 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.458 ' C ' HG22 ' A' ' 107' ' ' THR . 1.7 m170 -97.98 130.37 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 107' ' ' THR . 12.5 t -56.42 157.2 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.22 16.95 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 16.2 pttm -68.45 -42.07 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.8 mm-40 -43.46 -51.69 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -74.87 -49.26 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.53 100.07 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.64 -27.63 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.82 -27.06 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.5 tp -104.88 114.52 28.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -125.97 93.13 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.534 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 5.5 t -169.38 160.51 9.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.1 p -127.33 132.95 50.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.865 HD12 ' HG2' ' A' ' 93' ' ' GLN . 21.1 mt -34.93 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -96.25 -74.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.18 146.19 34.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -79.66 -174.39 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.86 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -94.27 109.52 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.56 -20.82 62.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.051 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 80.9 p -81.3 3.19 24.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.97 -22.69 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.41 149.26 61.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.967 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.51 26.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.691 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.5 p-90 -81.15 15.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 1.051 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.9 t80 -94.76 124.4 38.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -85.42 -59.4 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.401 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 92.13 82.95 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 25.7 t30 43.87 44.64 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.403 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 40.2 ttp -71.39 157.84 37.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.13 124.69 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -41.11 -64.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -42.15 -56.79 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -51.47 -32.65 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.774 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.8 m -66.18 -49.72 66.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.91 -10.83 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -89.83 -41.13 12.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 35' ' ' HIS . 3.3 pp -82.91 -34.12 26.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.9 mt -68.83 -56.44 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -38.86 -41.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -73.61 -35.33 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.603 ' HD2' HD12 ' A' ' 31' ' ' LEU . 47.8 m-70 -60.72 -177.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 177.39 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 p -83.55 19.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.29 5.92 4.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.4 m -80.98 126.8 31.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.588 ' CD2' HD22 ' A' ' 108' ' ' LEU . 19.1 p90 -122.71 164.26 18.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.774 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.0 pp -160.43 165.68 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.1 mp -140.97 110.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.822 ' NH1' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -116.76 169.61 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.863 0.363 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -104.9 152.81 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.822 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . . . -149.65 152.83 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 56' ' ' ILE . 16.0 mt -116.7 138.26 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -131.16 122.98 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 HG22 ' A' ' 54' ' ' ILE . 2.4 mp -131.67 142.77 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -88.67 112.01 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -146.59 140.14 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 61.86 40.82 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.81 33.29 13.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.84 135.43 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG1' HD12 ' A' ' 32' ' ' LEU . 87.6 t -87.08 113.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.682 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.1 mptt -89.42 136.64 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -113.12 103.68 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.601 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 71.7 mt -91.44 154.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.22 146.82 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 53' ' ' ALA . 20.0 t -114.59 139.24 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.37 158.33 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -134.41 102.45 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -132.46 149.61 52.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 51.45 37.6 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.0 m-80 59.81 37.83 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 18.4 m95 -130.92 174.86 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.28 123.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.15 -175.05 5.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.737 HG23 HD11 ' A' ' 88' ' ' LEU . 32.8 pt -135.93 147.69 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' THR . 6.7 t 33.92 32.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.0 mt-10 47.58 48.19 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.807 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.17 -55.98 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 2.4 mmmp? -135.8 120.62 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -82.27 112.02 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 80' ' ' LYS . 83.9 m-85 -112.9 167.83 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.37 -29.82 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -145.48 174.85 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 42' ' ' ILE . 19.6 tp -68.02 -44.32 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.53 -53.59 22.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.98 -45.5 31.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.737 HD11 HG23 ' A' ' 76' ' ' ILE . 8.8 tt -60.59 -41.11 94.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.16 -55.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.11 -34.35 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.461 ' CZ ' ' HE3' ' A' ' 80' ' ' LYS . 9.4 t80 -61.34 -53.05 61.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.468 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.7 m-85 -73.92 -22.22 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.682 ' CG ' HD12 ' A' ' 108' ' ' LEU . 18.1 mt-30 -54.38 -22.56 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.5 m -125.59 -29.57 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.466 ' C ' HG22 ' A' ' 107' ' ' THR . 1.3 m170 -99.02 130.04 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 107' ' ' THR . 17.5 t -48.72 132.13 17.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -10.87 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.7 ptmt -46.82 -31.07 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.02 -43.8 19.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -81.1 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 51.0 m-85 -107.65 158.3 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -93.25 -28.04 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -85.23 -1.71 57.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' A' ' 63' ' ' LYS . 5.3 tp -114.67 106.86 14.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 85.92 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.3 t -165.82 160.77 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 96' ' ' SER . 26.8 p -126.37 130.44 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.682 HD12 ' CG ' ' A' ' 93' ' ' GLN . 21.2 mt -34.24 100.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.31 -73.31 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -116.36 150.93 46.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.732 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.83 -169.03 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.674 2.249 . . . . 0.0 112.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -97.64 149.54 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.24 120.56 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.6 p -103.17 130.04 50.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.75 -48.16 0.97 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -88.72 135.47 33.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.833 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 t -123.46 162.02 23.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.8 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.14 111.82 0.95 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.4 p -79.77 -52.98 7.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.838 0.352 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.62 124.65 15.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -98.59 145.67 26.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.414 HG21 HD22 ' A' ' 86' ' ' LEU . 27.9 mt -61.53 135.91 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -88.79 102.51 15.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -75.05 -21.73 58.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.926 HG22 ' CE1' ' A' ' 19' ' ' PHE . 40.3 p -79.99 7.71 8.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.198 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.83 -20.04 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.713 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.2 m-85 -84.46 152.12 60.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.665 0.745 . . . . 0.0 110.901 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -28.28 25.22 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.682 2.254 . . . . 0.0 112.342 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.713 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.9 p-90 -80.49 14.03 2.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.926 ' CE1' HG22 ' A' ' 14' ' ' THR . 13.6 t80 -90.79 131.81 36.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.522 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -112.94 -44.99 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.21 -141.22 16.73 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.8 p30 -94.0 54.54 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.521 ' CE ' HD21 ' A' ' 31' ' ' LEU . 4.1 ptm -68.26 -178.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -90.58 119.86 31.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.5 ttp180 -39.82 -64.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -47.08 -41.99 18.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -61.89 -34.43 76.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.611 HG22 HD12 ' A' ' 32' ' ' LEU . 23.7 m -64.87 -51.22 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.492 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -71.64 -12.09 61.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -90.29 -38.7 13.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD21 ' CE ' ' A' ' 23' ' ' MET . 2.6 pp -86.02 -37.3 19.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD23 ' A' ' 41' ' ' LEU . 25.5 mt -67.97 -55.58 12.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.2 ptmm? -43.2 -41.95 4.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t -70.47 -39.77 74.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.8 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.576 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.0 m-70 -53.57 -177.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.93 -179.85 7.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -84.83 35.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.39 14.58 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.576 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.3 m -88.01 117.92 27.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.772 0.32 . . . . 0.0 111.184 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.563 ' HB3' HG23 ' A' ' 56' ' ' ILE . 22.0 p90 -116.39 161.05 19.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.702 HD23 HD21 ' A' ' 32' ' ' LEU . 1.2 pp -161.7 157.49 24.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.969 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.585 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -120.63 118.86 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.139 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' NH2' ' NH2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -115.5 164.36 14.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -109.81 154.99 22.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.489 ' NH2' ' NH2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -125.62 143.02 43.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.864 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.81 84.25 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.24 . . . . 0.0 112.392 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -161.31 147.28 14.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.93 -58.28 4.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.35 -62.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.115 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.684 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 5.8 mp0 -92.97 99.29 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 ttt85 -119.04 33.41 5.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -160.61 150.43 17.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.29 164.39 37.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.481 HG22 HD11 ' A' ' 56' ' ' ILE . 21.0 mt -137.74 125.33 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 t -121.71 123.75 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -130.51 134.92 61.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -81.95 108.16 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 27.0 t80 -148.57 134.39 18.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 11.9 t30 69.21 45.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 43.81 32.86 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -149.82 125.39 10.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 29' ' ' ASP . 77.3 t -79.83 111.05 16.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.579 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -94.57 140.82 29.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 -120.68 113.88 20.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 49.4 mt -99.52 150.28 5.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -105.61 143.19 34.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' A' ' 76' ' ' ILE . 91.0 t -107.39 136.32 42.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.9 125.84 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.19 104.66 12.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -140.64 149.58 42.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 73' ' ' TRP . 29.0 m-20 55.35 38.63 30.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.594 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 8.6 m120 58.95 28.77 18.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.594 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 10.2 m95 -125.65 162.07 25.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 85' ' ' LEU . 6.0 mt -131.94 124.28 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.3 p80 -159.56 175.58 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.672 ' O ' HG22 ' A' ' 77' ' ' THR . 37.8 pt -127.33 139.7 51.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.672 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 47.19 27.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.64 50.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -107.2 -25.85 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' CZ ' ' A' ' 82' ' ' PHE . 2.3 tmtp? -161.42 125.83 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 2.8 pptp? -83.84 148.41 27.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.55 ' CZ ' ' HD2' ' A' ' 80' ' ' LYS . 38.5 m-85 -144.54 138.87 27.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -39.65 -35.9 0.36 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 5.4 m -174.37 172.9 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 42' ' ' ILE . 60.5 tp -46.14 -51.52 13.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 11' ' ' ILE . 31.3 tp -43.06 -53.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.06 -50.53 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 10.1 tt -51.26 -38.27 51.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.675 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.0 t -71.35 -52.93 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -56.97 -26.59 60.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.821 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 61.3 t80 -68.45 -52.61 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -73.78 -27.45 61.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.701 ' HG3' HD12 ' A' ' 108' ' ' LEU . 59.0 mt-30 -49.47 -23.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 70.2 m -121.1 -31.8 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -99.96 127.6 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.764 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 16.3 t -52.14 155.02 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -86.64 12.79 9.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -64.96 -38.85 92.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -48.11 -47.7 34.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.5 p -82.3 -42.15 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -133.15 97.71 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -47.99 -51.37 24.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.5 mm100 -50.1 -33.44 18.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.579 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.6 tp -99.8 117.67 34.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -129.91 94.4 3.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 14.7 t -167.27 169.17 12.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.8 p -134.41 133.36 40.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.172 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.701 HD12 ' HG3' ' A' ' 93' ' ' GLN . 10.6 mt -37.79 103.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt -94.76 -74.81 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -111.89 149.72 41.25 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.997 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.458 ' O ' HG23 ' A' ' 39' ' ' THR . 52.6 Cg_endo -69.9 -176.35 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.625 2.217 . . . . 0.0 112.31 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 113' ' ' SER . 2.5 p90 -80.05 -174.82 4.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 112' ' ' TYR . 29.4 t -34.21 -48.95 0.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.33 146.78 21.5 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.527 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 94.53 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.612 2.208 . . . . 0.0 112.335 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.2 p -89.24 101.43 14.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.8 m -101.91 128.25 48.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.905 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.499 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 m -93.54 173.76 7.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.89 0.376 . . . . 0.0 110.824 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -84.18 119.37 24.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.15 176.69 35.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.42 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 m -81.48 122.32 27.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.0 p -41.33 -44.66 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.72 121.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.564 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 t -80.55 -59.54 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.795 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -115.34 28.45 8.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.949 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -77.42 155.04 32.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.428 HG21 HD22 ' A' ' 86' ' ' LEU . 72.2 mt -85.87 147.59 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.703 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.0 t0 -104.25 95.38 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -78.3 -25.88 46.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.992 HG22 ' CE2' ' A' ' 19' ' ' PHE . 54.6 p -80.53 9.19 6.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.703 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -101.41 -22.22 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.698 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.9 m-85 -80.28 152.56 73.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.714 0.769 . . . . 0.0 110.868 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -28.58 24.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.698 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.9 p-90 -79.35 12.06 2.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.992 ' CE2' HG22 ' A' ' 14' ' ' THR . 8.8 t80 -93.67 135.45 34.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.756 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -116.04 -47.72 2.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.24 -138.72 14.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.443 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -67.18 78.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.539 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.9 OUTLIER -95.35 159.68 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 25' ' ' ARG . 13.7 mt-10 -107.47 126.92 53.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 24' ' ' GLU . 13.0 mmm-85 -33.98 -47.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -66.55 -49.74 65.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.404 ' HG3' HD23 ' A' ' 31' ' ' LEU . 9.1 tp60 -52.35 -49.74 63.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.506 HG23 HD21 ' A' ' 41' ' ' LEU . 10.6 m -56.97 -50.59 72.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 62' ' ' VAL . 4.5 t0 -72.63 -12.59 61.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.9 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -88.95 -34.56 16.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.1 pp -91.71 -33.55 14.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 35' ' ' HIS . 14.6 mt -68.25 -51.32 46.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 34' ' ' SER . 11.0 pttp -36.89 -44.26 0.49 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 4.6 t -68.64 -39.82 80.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.887 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.58 ' CD2' HG21 ' A' ' 39' ' ' THR . 12.6 m-70 -59.28 -179.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.58 -175.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.2 m -84.07 16.79 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.822 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.11 1.15 7.18 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.754 HG23 ' O ' ' A' ' 111' ' ' PRO . 53.0 m -79.53 124.18 28.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 111.143 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.669 ' CD2' HD22 ' A' ' 108' ' ' LEU . 14.5 p90 -126.27 158.41 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.756 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.6 OUTLIER -163.37 162.1 24.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.97 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.649 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -124.94 117.86 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -125.51 155.19 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -98.16 127.18 43.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.8 ttt85 -129.74 139.65 36.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 103.67 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.624 2.216 . . . . 0.0 112.348 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.787 ' HB3' ' HB3' ' A' ' 50' ' ' GLU . . . -138.38 171.57 14.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -64.43 105.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.83 36.18 19.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.787 ' HB3' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -120.04 125.95 49.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -94.81 -64.18 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.83 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -114.16 175.85 5.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.441 ' HB2' ' OE2' ' A' ' 50' ' ' GLU . . . -149.9 129.79 13.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.065 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.827 HG22 HD11 ' A' ' 56' ' ' ILE . 18.4 mt -95.6 122.68 47.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.46 124.82 46.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.827 HD11 HG22 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -137.04 140.82 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -84.2 126.48 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.423 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 80.2 t80 -168.62 138.74 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 64.5 45.35 3.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 45.31 33.51 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -151.3 137.65 18.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.469 HG21 ' HA ' ' A' ' 29' ' ' ASP . 42.1 t -89.69 108.26 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.842 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.4 mptt -84.21 144.28 29.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -125.21 107.77 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.478 HD12 ' O ' ' A' ' 54' ' ' ILE . 5.3 mp -92.22 151.62 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.127 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -111.87 121.96 46.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.977 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' CG1' HG23 ' A' ' 74' ' ' ILE . 60.3 t -88.44 112.93 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.156 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -93.63 130.59 42.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.105 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.02 104.52 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 tttm -133.68 149.96 51.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.601 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.3 m-20 48.8 45.82 21.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.846 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.503 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 29.0 t30 53.12 32.89 13.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.4 m95 -130.64 162.1 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.899 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.413 HG21 ' HA ' ' A' ' 85' ' ' LEU . 8.8 mt -129.56 126.08 62.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -156.33 -175.15 5.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD11 ' OH ' ' A' ' 92' ' ' TYR . 33.3 pt -143.26 145.33 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.4 t 44.22 25.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.126 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 43.22 43.86 4.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.586 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -94.24 -36.51 11.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -160.91 139.81 10.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -90.51 139.18 30.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -130.54 140.41 50.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.84 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -43.84 -27.89 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 m -175.21 -177.27 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.413 ' HA ' HG21 ' A' ' 74' ' ' ILE . 18.2 tp -62.68 -47.96 81.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD22 HG21 ' A' ' 11' ' ' ILE . 27.2 tp -45.73 -54.81 7.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.79 -51.02 64.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.9 tt -50.24 -42.56 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.454 HG13 ' CD1' ' A' ' 108' ' ' LEU . 50.2 t -67.66 -46.85 81.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -61.38 -24.12 66.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.452 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 18.2 t80 -71.75 -49.46 38.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.628 ' OH ' HD11 ' A' ' 76' ' ' ILE . 25.9 m-85 -75.44 -20.99 58.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.953 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.545 ' HG3' HD12 ' A' ' 108' ' ' LEU . 20.2 mt-30 -56.17 -23.78 37.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.947 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 84.0 m -122.96 -28.58 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.452 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.9 OUTLIER -102.1 133.81 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.2 t -60.18 153.59 21.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.492 HD13 HD23 ' A' ' 104' ' ' LEU . 7.8 mt -81.21 -11.96 59.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -44.18 -38.49 3.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -48.15 -49.4 32.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.6 m -81.74 -45.13 16.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -126.76 96.51 4.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.2 pttt -47.18 -37.34 9.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.01 -30.54 71.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.842 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.6 tp -100.9 105.56 16.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -119.64 90.42 3.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.7 t -164.53 160.93 20.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.424 HG22 ' C ' ' A' ' 95' ' ' HIS . 24.6 p -125.59 136.23 53.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.135 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.669 HD22 ' CD2' ' A' ' 40' ' ' TYR . 19.3 mt -42.23 96.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 107' ' ' THR . 71.0 mttt -87.71 -73.47 0.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -116.05 150.26 44.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.754 ' O ' HG23 ' A' ' 39' ' ' THR . 53.7 Cg_endo -69.79 -165.21 0.15 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.698 2.265 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -90.6 -176.32 4.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 112' ' ' TYR . 24.5 t -37.24 -68.61 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 120.08 167.19 13.44 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.55 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 158.13 58.09 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 20.6 m 65.38 38.84 5.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 14.6 m -140.42 160.18 40.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.442 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -114.39 145.31 41.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.369 . . . . 0.0 110.816 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -103.23 115.74 31.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.34 52.66 0.31 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.5 p -83.49 154.46 23.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -126.39 108.48 11.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.834 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.39 68.89 1.24 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -164.73 142.6 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.809 0.338 . . . . 0.0 110.953 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 17.5 ttm180 -127.07 140.27 52.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.431 ' OE1' ' C ' ' A' ' 9' ' ' ARG . 1.2 mp0 -124.84 151.58 45.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 56.6 mt -51.17 147.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.484 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 44.8 t0 -98.65 88.44 4.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.79 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 11.8 m-85 -72.96 -19.18 61.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.775 HG22 ' CE1' ' A' ' 19' ' ' PHE . 30.8 p -80.89 6.57 12.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.132 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.484 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.83 -19.58 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.051 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.702 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.28 150.71 64.73 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.626 0.727 . . . . 0.0 110.952 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -26.14 27.78 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.737 2.291 . . . . 0.0 112.228 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.702 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 12.3 p-90 -83.35 15.32 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.775 ' CE1' HG22 ' A' ' 14' ' ' THR . 6.5 t80 -92.9 131.55 37.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.83 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -106.29 -56.19 2.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.31 -133.18 11.33 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.527 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -74.22 61.59 0.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.506 ' CE ' HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -83.19 159.03 22.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ARG . 7.6 mm-40 -105.47 127.69 53.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLU . 1.9 mpp_? -35.65 -43.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -70.42 -49.83 44.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tp60 -51.19 -46.75 62.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.95 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.98 HG23 HD21 ' A' ' 41' ' ' LEU . 28.7 m -60.57 -48.11 83.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -73.37 -10.85 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.62 -30.98 15.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.506 HD21 ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.13 -40.1 10.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.904 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.6 mt -64.42 -49.04 73.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -41.01 -30.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.96 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.1 t -84.76 -35.16 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CG ' HG21 ' A' ' 39' ' ' THR . 20.4 m-70 -58.35 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.41 -174.87 4.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 t -85.95 26.25 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.44 7.48 2.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.868 HG23 ' O ' ' A' ' 111' ' ' PRO . 91.9 m -85.57 120.24 26.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.786 0.327 . . . . 0.0 111.139 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.601 ' HB3' HG23 ' A' ' 56' ' ' ILE . 26.4 p90 -119.69 157.66 28.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.98 HD21 HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -159.32 158.5 32.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.494 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.6 mp -126.15 122.07 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 ptt-85 -113.83 174.67 5.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 51' ' ' ARG . 13.5 tp10 -111.84 125.37 53.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -110.56 134.98 20.72 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.735 0.778 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 100.62 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.618 2.212 . . . . 0.0 112.345 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -173.15 155.14 2.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -76.14 -57.21 4.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.18 -56.92 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 11.3 mp0 -96.45 79.29 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.656 ' NE ' ' CZ ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -77.8 -42.04 35.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.656 ' CZ ' ' NE ' ' A' ' 51' ' ' ARG . 20.1 m-85 -110.87 152.93 26.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -144.48 148.22 34.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.024 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.5 mt -116.43 143.95 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.162 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.1 p -139.06 130.38 26.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.601 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.9 OUTLIER -136.31 144.9 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.455 ' HZ1' ' CA ' ' A' ' 60' ' ' ASP . 11.9 tptp -86.6 119.13 26.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.528 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 11.6 t80 -167.77 146.14 4.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.528 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.7 t-20 69.57 40.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' CA ' ' HZ1' ' A' ' 57' ' ' LYS . 25.5 m-20 49.33 26.38 1.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -150.7 157.66 43.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.21 110.72 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 35.4 mmtt -88.26 151.82 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -131.85 104.14 6.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 46.1 mt -87.78 140.58 15.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.128 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -105.62 122.21 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.542 HG12 ' N ' ' A' ' 68' ' ' VAL . 28.9 t -82.13 161.49 3.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.542 ' N ' HG12 ' A' ' 67' ' ' VAL . 24.9 t -136.41 131.38 48.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -112.31 103.67 11.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -141.51 149.62 41.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.485 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 13.6 t70 57.26 33.59 23.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.446 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 39.6 m-20 60.96 37.18 18.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 37.5 m95 -142.36 172.53 12.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.464 HG23 ' CG1' ' A' ' 67' ' ' VAL . 5.3 mt -133.39 136.92 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.481 ' HA ' HD12 ' A' ' 88' ' ' LEU . 28.0 p80 -168.7 -174.99 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.819 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 77' ' ' THR . 41.3 pt -137.94 143.25 33.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 44.47 25.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 48.01 44.42 18.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.405 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -89.07 -33.13 17.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -169.68 124.33 0.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.88 123.75 27.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -113.6 158.21 21.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.434 ' HB3' ' CD ' ' A' ' 87' ' ' GLU . 14.1 t0 -59.73 -29.75 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m -172.74 -176.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.482 HD21 HG21 ' A' ' 42' ' ' ILE . 19.9 tp -60.5 -50.92 71.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 27.2 tp -44.2 -54.17 5.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' CD ' ' HB3' ' A' ' 83' ' ' ASP . 23.5 mt-10 -54.66 -47.17 73.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -58.68 -40.09 82.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 ' CD1' ' A' ' 108' ' ' LEU . 47.4 t -68.92 -53.48 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -57.47 -27.87 62.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.554 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 83.3 t80 -67.0 -52.87 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -71.05 -28.48 64.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.694 ' HG3' HD12 ' A' ' 108' ' ' LEU . 58.6 mt-30 -46.55 -25.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.2 m -119.7 -30.85 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.52 127.05 45.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.473 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.6 t -53.06 155.31 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.88 9.73 15.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 8.4 pttp -63.49 -36.9 85.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -49.35 -47.26 47.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.0 t -79.7 -52.52 7.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -119.12 108.03 14.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.4 ptmt -56.62 -21.2 25.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -86.26 -21.19 27.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 11.1 tp -105.25 108.44 19.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -123.76 94.33 4.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.3 t -172.96 164.35 4.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.477 HG22 ' C ' ' A' ' 95' ' ' HIS . 31.8 p -130.04 141.64 50.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.694 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.5 mt -46.36 97.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -85.74 -70.16 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.26 152.37 50.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.73 0.776 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.868 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.75 -163.75 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.717 2.278 . . . . 0.0 112.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.494 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -99.68 -175.04 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.985 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.494 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 2.7 t -82.2 101.25 10.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.54 172.7 18.07 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 38.2 p -107.82 29.07 7.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.1 p -87.36 134.79 33.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.767 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.439 -0.265 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -144.75 141.19 29.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.847 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -91.84 144.94 24.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.32 155.48 8.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.508 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -140.45 113.95 8.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.822 0.344 . . . . 0.0 110.922 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 46.01 42.58 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.811 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.24 112.76 0.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 45.1 m -69.39 157.62 36.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.882 0.372 . . . . 0.0 110.844 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -58.0 96.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.94 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -65.06 154.69 37.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.576 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 36.5 mt -63.0 135.84 26.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.17 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.538 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 49.3 t0 -78.12 83.95 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 18.7 m-85 -67.52 -19.48 65.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.947 HG22 ' CE2' ' A' ' 19' ' ' PHE . 44.2 p -83.21 6.88 17.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.538 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -97.47 -20.01 18.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.685 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.0 m-85 -79.76 151.26 73.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.631 0.729 . . . . 0.0 110.902 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -27.92 25.82 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.326 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.685 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 11.9 p-90 -80.37 13.18 2.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.947 ' CE2' HG22 ' A' ' 14' ' ' THR . 5.1 t80 -99.01 123.43 43.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.694 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.39 -37.38 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.094 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.69 -143.81 16.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -79.91 56.12 2.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.331 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.486 ' HE3' HG23 ' A' ' 28' ' ' THR . 28.9 ttp -83.06 155.39 23.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 25' ' ' ARG . 26.7 mt-10 -95.84 137.16 35.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 64' ' ' HIS . 17.4 ttp180 -34.99 -64.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -45.56 -55.28 6.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -49.65 -30.06 8.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.58 HG23 HD21 ' A' ' 41' ' ' LEU . 7.0 m -76.06 -46.91 26.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.614 ' HA ' HG11 ' A' ' 62' ' ' VAL . 6.7 t0 -66.47 -26.96 67.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 30.7 m-20 -74.13 -35.1 64.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 35' ' ' HIS . 1.2 pp -92.33 -23.58 19.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.903 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 HG22 ' A' ' 28' ' ' THR . 13.7 mt -85.13 -49.03 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 11.8 ptmm? -37.74 -46.98 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.5 m -70.99 -40.67 71.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.841 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CD2' HG21 ' A' ' 39' ' ' THR . 8.8 m-70 -52.34 174.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.37 -177.62 6.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.6 m -85.68 23.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.78 -3.32 2.96 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.564 HG21 ' CD2' ' A' ' 35' ' ' HIS . 81.9 m -72.2 116.46 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.358 . . . . 0.0 111.13 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.674 ' CB ' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -117.09 162.17 18.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.755 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -170.73 167.0 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.953 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.755 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.9 mp -130.54 117.85 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.473 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -124.79 157.0 36.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -100.57 131.68 46.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -100.36 142.57 24.87 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.638 0.732 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.79 85.17 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.44 176.71 8.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -97.24 -56.07 2.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.2 -73.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -75.54 155.5 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 51' ' ' ARG . 20.3 ttm105 -129.27 -42.78 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -108.03 147.87 30.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.471 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . . . -139.9 152.18 46.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 56' ' ' ILE . 20.6 mt -121.5 126.77 75.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.421 ' CB ' HG21 ' A' ' 28' ' ' THR . 2.0 m -122.45 111.45 16.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' CB ' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -122.03 131.16 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.493 ' HE2' ' N ' ' A' ' 61' ' ' GLU . 16.2 tptm -80.28 120.32 24.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 59' ' ' ASN . 78.9 t80 -153.51 145.36 23.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 9.7 t-20 56.77 39.89 29.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.9 t0 56.43 27.66 12.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.493 ' N ' ' HE2' ' A' ' 57' ' ' LYS . 52.4 mt-10 -147.55 131.61 17.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.614 HG11 ' HA ' ' A' ' 29' ' ' ASP . 0.2 OUTLIER -87.18 115.34 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.48 ' HG2' HD13 ' A' ' 104' ' ' LEU . 3.3 mptp? -88.04 147.16 25.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.91 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CE1' ' HG3' ' A' ' 25' ' ' ARG . 72.9 m-70 -122.46 103.48 8.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 mt -101.21 148.81 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.89 147.7 32.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.548 ' HA ' HG22 ' A' ' 76' ' ' ILE . 59.0 t -107.93 119.3 57.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.4 t -84.67 111.41 20.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' CG1' ' A' ' 74' ' ' ILE . 2.7 tt0 -108.24 102.34 11.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.2 ttmm -147.96 149.75 32.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 87.6 m-20 57.2 42.33 25.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.6 m-20 54.14 31.06 13.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.467 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 29.6 m95 -127.38 154.77 44.58 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.422 ' CG1' ' HG3' ' A' ' 69' ' ' GLU . 10.0 mt -131.43 124.49 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -162.61 179.37 7.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 77' ' ' THR . 38.1 pt -136.84 146.91 27.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.569 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.2 t 44.38 25.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 44.78 48.95 8.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.836 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.472 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -96.09 -46.16 6.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -154.67 134.44 12.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.41 138.34 31.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -127.61 151.35 49.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -58.8 -23.73 60.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.0 m -172.3 178.75 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 61.9 tp -62.43 -51.0 69.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.4 tp -41.65 -50.13 4.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -57.22 -46.39 82.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.715 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.3 tt -57.21 -53.08 62.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.429 ' N ' HD23 ' A' ' 88' ' ' LEU . 23.4 t -57.14 -49.35 79.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.19 -24.07 64.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.435 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 22.8 t80 -69.42 -53.55 18.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 76' ' ' ILE . 22.1 m-85 -72.68 -25.64 61.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.94 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' CG ' HD12 ' A' ' 108' ' ' LEU . 10.5 mt-30 -49.62 -24.28 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.6 -32.27 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.435 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.02 130.2 44.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.4 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.2 t -54.24 159.64 1.87 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.55 HD13 HD23 ' A' ' 104' ' ' LEU . 7.0 mt -92.72 6.45 47.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 33.2 pttt -60.59 -31.88 71.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -52.12 -50.03 62.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.49 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.4 t -82.2 -46.58 13.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.49 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 46.1 m-85 -125.61 100.16 6.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -51.88 -28.49 16.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -73.91 -25.98 60.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.55 HD23 HD13 ' A' ' 97' ' ' LEU . 3.4 tp -106.07 92.2 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.27 80.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.2 t -154.3 173.03 16.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 108' ' ' LEU . 74.4 p -135.02 131.19 36.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.517 ' HB3' ' CD1' ' A' ' 40' ' ' TYR . 11.5 mt -34.53 106.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -98.05 -75.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -114.92 148.49 40.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.654 0.74 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.47 ' O ' HG23 ' A' ' 39' ' ' THR . 53.8 Cg_endo -69.73 -175.95 1.32 Allowed 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.573 ' CE2' ' HA2' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -82.83 -177.1 6.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t -96.85 -75.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.573 ' HA2' ' CE2' ' A' ' 112' ' ' TYR . . . 139.64 -169.17 24.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.55 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.7 p -108.38 93.07 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.0 m -67.75 101.15 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.476 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -115.02 -50.64 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.953 0.406 . . . . 0.0 110.892 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m 43.86 42.03 4.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.7 44.48 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.4 p -69.1 148.85 49.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.376 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.9 t -70.6 -55.88 7.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.73 115.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.559 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 52.8 m -155.87 133.75 11.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -93.16 132.52 37.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -81.77 161.85 23.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.727 HG21 HD22 ' A' ' 86' ' ' LEU . 71.2 mt -45.64 140.38 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -84.89 97.3 9.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -79.15 -21.8 45.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.945 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 79.2 p -77.82 2.76 16.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.192 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.58 -28.47 19.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.658 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 65.6 m-85 -75.83 149.11 82.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.666 0.746 . . . . 0.0 110.895 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -26.69 27.49 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.724 2.283 . . . . 0.0 112.333 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 14.6 p-90 -82.15 14.5 2.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.945 ' CZ ' HG22 ' A' ' 14' ' ' THR . 14.0 t80 -90.34 129.33 36.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.79 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -98.74 -59.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 81.9 109.0 0.39 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.508 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.459 ' C ' ' O ' ' A' ' 21' ' ' GLY . 2.6 p30 33.7 54.64 0.52 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.554 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.5 tpp -76.9 151.37 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.7 mm-40 -82.72 117.06 22.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.923 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.3 ppt_? -40.92 -28.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -82.5 -48.26 11.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.684 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -64.39 -19.11 65.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.721 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.6 m -79.83 -44.99 19.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.054 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' HA ' HG21 ' A' ' 62' ' ' VAL . 7.6 t0 -80.14 -11.3 59.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -88.92 -35.32 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.684 HD23 ' O ' ' A' ' 27' ' ' GLN . 1.7 pp -89.77 -37.02 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD11 HD23 ' A' ' 41' ' ' LEU . 23.5 mt -65.92 -41.75 90.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.8 pttt -53.2 -24.97 12.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -84.91 -29.68 24.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -68.07 -178.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.29 -174.96 5.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.6 p -86.04 29.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.34 13.25 2.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 111' ' ' PRO . 17.6 m -90.79 122.84 33.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.867 0.365 . . . . 0.0 111.086 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.607 ' CD2' HD13 ' A' ' 108' ' ' LEU . 22.4 p90 -120.18 165.37 14.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.8 OUTLIER -164.38 158.66 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.541 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.9 mp -127.97 117.76 46.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.104 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -116.6 174.86 5.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -119.04 118.63 31.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 9.0 mtp-105 -89.97 143.65 30.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.57 0.7 . . . . 0.0 110.847 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 107.41 1.86 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.618 2.212 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -171.81 153.78 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.93 -39.81 87.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.18 -64.63 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 10.9 mp0 -67.94 96.26 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.52 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 15.0 mmt85 -114.49 27.46 9.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 36.6 m-85 -164.23 147.45 9.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.8 141.12 21.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.622 HG22 HD11 ' A' ' 56' ' ' ILE . 20.8 mt -111.11 122.22 65.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -118.37 124.46 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.622 HD11 HG22 ' A' ' 54' ' ' ILE . 0.7 OUTLIER -134.54 143.81 36.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -88.19 116.56 26.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -155.12 130.71 9.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 69.34 40.8 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 50.19 33.5 7.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -149.39 133.01 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.556 HG21 ' HA ' ' A' ' 29' ' ' ASP . 59.7 t -86.79 106.14 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.567 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -89.16 130.26 35.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.34 114.39 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.813 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.3 mt -104.09 107.09 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -71.2 112.48 7.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.592 ' HA ' HG22 ' A' ' 76' ' ' ILE . 77.5 t -76.58 110.26 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.209 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.522 HG12 ' NE2' ' A' ' 75' ' ' HIS . 66.9 t -80.18 138.07 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -129.51 102.84 6.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -130.73 149.92 52.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.006 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 4.4 m-20 58.13 33.52 23.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.81 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 5.8 m120 62.55 27.62 16.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.409 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 30.7 m95 -129.03 166.8 18.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.714 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -113.14 140.03 35.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.522 ' NE2' HG12 ' A' ' 68' ' ' VAL . 5.3 p80 -167.1 168.03 13.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.633 ' O ' HG22 ' A' ' 77' ' ' THR . 24.8 pt -140.39 144.86 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.633 HG22 ' O ' ' A' ' 76' ' ' ILE . 12.6 t 46.51 25.12 0.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 41.99 45.31 3.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' CB ' HG23 ' A' ' 77' ' ' THR . . . -116.12 -36.59 4.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -155.1 134.16 12.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.489 ' CB ' ' HB3' ' A' ' 75' ' ' HIS . 0.0 OUTLIER -116.33 162.73 17.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.67 162.73 33.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 84' ' ' SER . 0.6 OUTLIER -51.76 -31.88 28.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.714 ' HA ' HD13 ' A' ' 74' ' ' ILE . 26.5 p -163.49 -178.77 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 18.3 tp -73.06 -24.99 60.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.727 HD22 HG21 ' A' ' 11' ' ' ILE . 37.4 tp -68.93 -51.61 38.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -35.25 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.446 HD21 ' HE2' ' A' ' 92' ' ' TYR . 6.6 tt -60.6 -41.3 94.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.678 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.4 t -70.8 -41.94 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -59.35 -26.88 65.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.559 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 28.0 t80 -74.2 -39.92 62.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.446 ' HE2' HD21 ' A' ' 88' ' ' LEU . 25.1 m-85 -81.19 -24.68 37.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -56.32 -22.24 29.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.16 -28.37 4.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.559 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -106.37 148.03 28.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.0 t -72.65 149.68 43.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 mt -71.09 0.41 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 26.2 pttt -56.14 -32.91 64.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -45.88 -42.76 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.0 m -92.63 -54.9 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -110.14 99.57 8.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.86 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.21 -18.09 14.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -85.23 -18.22 34.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.567 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.1 tp -112.01 109.56 19.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -118.69 89.02 3.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 14.7 t -152.11 158.03 42.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 109' ' ' LYS . 26.6 p -128.74 131.5 47.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.678 ' CD1' HG13 ' A' ' 89' ' ' VAL . 8.9 mt -46.54 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 107' ' ' THR . 10.2 mtmm -83.73 -69.56 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -115.92 148.32 41.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.543 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.71 -168.49 0.27 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.369 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -95.52 -174.83 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.2 t -68.02 72.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -73.38 160.27 53.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.471 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 127.56 14.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.769 2.313 . . . . 0.0 112.368 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 27.8 p -101.83 165.08 11.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.1 m -116.01 122.95 46.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.513 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 p -93.76 122.02 35.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.896 0.379 . . . . 0.0 110.811 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -134.73 139.91 45.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.77 -177.27 37.22 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -41.27 129.85 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.94 0.4 . . . . 0.0 110.822 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.8 p -109.81 83.76 1.81 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.811 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.41 -129.41 1.53 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.463 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.7 t 38.61 39.2 0.3 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -81.41 110.66 17.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' O ' ' C ' ' A' ' 11' ' ' ILE . 23.1 tt0 -104.13 162.28 13.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.7 HG21 HD22 ' A' ' 86' ' ' LEU . 86.8 mt -34.62 130.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.144 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -85.23 104.29 14.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -82.77 -27.27 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.826 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 82.4 p -75.58 5.43 6.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.185 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.51 -25.8 16.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.058 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 71.1 m-85 -78.25 150.48 77.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.693 0.759 . . . . 0.0 110.916 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -26.97 26.83 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.597 2.198 . . . . 0.0 112.36 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.72 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.9 p-90 -81.95 13.27 3.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.969 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.826 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.6 t80 -86.19 124.39 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 1.014 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -88.07 -64.67 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 83.51 106.91 0.53 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.447 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 4.4 p-10 33.74 55.04 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.51 ' CE ' HD21 ' A' ' 31' ' ' LEU . 3.3 tpp -83.81 152.47 24.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 23' ' ' MET . 5.8 mm-40 -96.75 123.92 40.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.828 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 24' ' ' GLU . 37.6 mtm180 -35.23 -68.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -44.63 -59.67 2.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -48.69 -32.19 8.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.521 HG23 HD21 ' A' ' 41' ' ' LEU . 3.1 m -73.29 -43.46 60.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -75.52 -11.73 60.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -88.88 -34.66 16.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.2 pp -90.87 -34.15 15.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 HD12 HG22 ' A' ' 28' ' ' THR . 19.4 mt -71.21 -43.05 68.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmm? -46.26 -33.39 3.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.2 m -82.67 -26.59 31.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 32' ' ' LEU . 25.6 m-70 -65.86 179.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.85 -176.16 5.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -87.62 31.95 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.7 8.22 1.32 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 111' ' ' PRO . 36.7 m -86.58 124.59 33.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.817 0.342 . . . . 0.0 111.15 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.561 ' CD2' HD13 ' A' ' 108' ' ' LEU . 20.6 p90 -125.43 165.92 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.014 HD13 ' HB2' ' A' ' 20' ' ' ALA . 0.5 OUTLIER -163.19 161.53 25.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.931 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.842 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.4 mp -126.42 111.63 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.557 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 4.2 ptm180 -105.12 174.91 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -127.39 103.78 7.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 ttt85 -95.64 125.78 47.95 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 105.44 1.47 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.741 2.294 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -126.73 171.85 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -53.05 -40.32 63.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -129.38 -72.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.051 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 5.7 pt-20 -53.79 113.91 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 9.4 tpp180 -114.57 45.76 1.5 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.472 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 37.2 m-85 -162.39 148.69 13.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -148.73 161.23 42.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.075 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.673 HG22 HD11 ' A' ' 56' ' ' ILE . 10.9 mt -135.45 132.42 51.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -123.6 125.55 45.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.673 HD11 HG22 ' A' ' 54' ' ' ILE . 3.2 mp -134.05 134.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -84.27 112.57 20.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.448 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 56.2 t80 -150.15 141.1 22.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 57.72 52.78 7.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 42.47 34.33 0.52 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -152.64 134.56 14.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 39.2 t -89.61 104.25 14.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -83.77 136.97 33.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -115.01 129.02 56.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 mt -114.59 143.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' NZ ' ' HB2' ' A' ' 66' ' ' LYS . 1.1 mtmp? -103.16 103.05 13.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.649 ' HA ' HG22 ' A' ' 76' ' ' ILE . 47.9 t -70.84 98.49 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.151 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.567 HG12 ' NE2' ' A' ' 75' ' ' HIS . 79.5 t -75.84 137.51 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -127.15 103.2 7.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 71' ' ' ASP . 15.8 ttmm -128.21 149.97 50.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' N ' ' HG2' ' A' ' 70' ' ' LYS . 12.2 t70 56.89 34.76 25.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.449 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 92.3 m-20 60.89 32.75 20.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.449 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 28.7 m95 -137.27 151.73 49.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.1 mp -97.1 141.06 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.567 ' NE2' HG12 ' A' ' 68' ' ' VAL . 4.8 p80 -169.26 165.1 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG22 ' HA ' ' A' ' 67' ' ' VAL . 45.1 pt -139.38 145.59 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.541 HG21 ' OG ' ' A' ' 100' ' ' SER . 13.3 t 42.69 25.37 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 40.73 48.44 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -115.3 -48.75 2.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 tptt -144.46 107.9 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.4 ptpp? -89.13 159.03 17.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 48.9 m-85 -136.19 159.53 41.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.18 -36.81 63.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.499 ' HA ' HD13 ' A' ' 74' ' ' ILE . 1.9 m -157.78 173.72 16.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 89' ' ' VAL . 32.3 tp -63.83 -37.15 86.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.7 HD22 HG21 ' A' ' 11' ' ' ILE . 25.3 tp -54.09 -54.37 40.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -57.75 -50.97 71.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.3 tt -46.14 -33.1 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 108' ' ' LEU . 67.1 t -79.67 -49.62 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -58.6 -25.12 62.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.499 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 68.0 t80 -70.59 -50.79 33.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.525 ' CE1' HD23 ' A' ' 97' ' ' LEU . 26.6 m-85 -73.94 -21.29 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -55.91 -23.09 29.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.2 t -123.22 -25.25 4.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.6 OUTLIER -106.29 132.99 51.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.6 ' HA ' HG22 ' A' ' 107' ' ' THR . 41.7 t -53.78 156.85 2.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.551 HD13 HD21 ' A' ' 104' ' ' LEU . 6.0 mt -88.25 3.52 49.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.946 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 99' ' ' GLU . 15.9 pttp -58.88 -39.83 82.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' LYS . 19.5 mt-10 -36.26 -47.53 0.59 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.541 ' OG ' HG21 ' A' ' 77' ' ' THR . 29.8 t -98.04 -46.11 6.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.456 ' CB ' ' HB3' ' A' ' 104' ' ' LEU . 79.5 m-85 -114.26 83.44 1.88 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 pttt -44.09 -60.21 1.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -48.54 -32.25 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.551 HD21 HD13 ' A' ' 97' ' ' LEU . 3.2 tp -95.33 90.61 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 17.5 t70 -105.14 97.44 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.448 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 5.3 t -167.45 153.49 7.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.6 HG22 ' HA ' ' A' ' 96' ' ' SER . 70.7 p -120.84 141.45 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 40' ' ' TYR . 8.8 mt -53.21 99.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -91.97 -72.05 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -112.9 149.67 41.63 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.751 0.786 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.866 ' O ' HG23 ' A' ' 39' ' ' THR . 53.0 Cg_endo -69.74 -166.42 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 0.0 112.31 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.9 -178.6 3.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 m -78.62 95.6 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -79.93 -166.59 33.66 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 116' ' ' SER . 53.4 Cg_endo -69.75 -6.72 19.28 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.773 2.316 . . . . 0.0 112.308 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 115' ' ' PRO . 1.3 t -36.46 97.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 115' ' ' PRO . 40.6 t -127.89 144.31 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -44.15 128.28 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.3 m -119.67 -58.25 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.33 -122.65 6.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.437 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -120.33 165.77 14.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.797 0.332 . . . . 0.0 110.952 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.7 p -148.08 149.13 31.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.813 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.35 70.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.438 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.8 p -79.91 126.72 31.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.883 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -129.11 84.97 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.8 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -103.63 164.42 11.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.667 HD13 ' CB ' ' A' ' 86' ' ' LEU . 89.5 mt -46.13 127.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -84.08 91.37 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.419 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 7.8 m-85 -70.0 -36.7 75.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.879 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 69.4 p -66.74 -3.68 7.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.7 -21.66 26.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.026 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.695 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 88.0 m-85 -87.02 150.47 49.97 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -29.47 24.05 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.742 2.295 . . . . 0.0 112.308 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.775 ' CE3' HD13 ' A' ' 42' ' ' ILE . 10.9 p-90 -79.01 11.98 2.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.879 ' CZ ' HG22 ' A' ' 14' ' ' THR . 15.5 t80 -83.43 134.26 34.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.739 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -125.54 -16.09 5.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 34.44 -138.39 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.506 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -61.46 76.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.913 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.556 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.0 tpp -100.12 150.87 22.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 23' ' ' MET . 19.1 mt-10 -79.93 128.74 33.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -50.11 -22.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -85.77 -41.38 15.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.841 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -62.16 -47.19 85.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.905 HG23 HD21 ' A' ' 41' ' ' LEU . 33.5 m -52.91 -53.03 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.441 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.2 t70 -74.28 -30.12 61.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -69.19 -32.88 72.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 HD21 ' HE3' ' A' ' 23' ' ' MET . 4.0 pp -93.2 -42.57 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 HD12 HG22 ' A' ' 28' ' ' THR . 24.2 mt -61.87 -49.66 75.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.99 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -41.85 -41.48 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 t -74.94 -41.65 59.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.762 ' CD2' HG21 ' A' ' 39' ' ' THR . 5.5 m-70 -54.4 179.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.0 -175.97 5.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.4 m -83.41 19.93 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.92 -4.46 5.59 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.818 HG23 ' O ' ' A' ' 111' ' ' PRO . 55.2 m -76.76 124.53 27.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 0.0 111.104 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.629 ' CD2' HD13 ' A' ' 108' ' ' LEU . 23.5 p90 -125.16 171.92 9.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.905 HD21 HG23 ' A' ' 28' ' ' THR . 1.4 pp -171.49 157.98 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.6 mp -119.89 112.86 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -103.98 171.55 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.83 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -139.89 132.94 29.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 45' ' ' ARG . 14.7 mtp-105 -127.37 112.57 21.25 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.689 0.756 . . . . 0.0 110.83 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.74 119.33 6.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.4 160.16 5.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -43.48 -30.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.66 -174.55 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -37.52 148.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.1 ttp180 -116.89 42.62 2.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.411 ' CB ' ' HB ' ' A' ' 67' ' ' VAL . 13.6 m-85 -159.06 146.12 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -152.16 149.83 29.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.779 HG22 HD11 ' A' ' 56' ' ' ILE . 18.3 mt -120.15 126.69 75.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.423 ' OG ' ' CE1' ' A' ' 64' ' ' HIS . 30.9 m -117.16 116.49 27.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.779 HD11 HG22 ' A' ' 54' ' ' ILE . 1.3 mp -129.48 138.47 54.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.083 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -80.66 124.91 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CE1' ' HB ' ' A' ' 106' ' ' THR . 27.2 t80 -159.16 142.94 15.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 5.5 m120 55.8 31.72 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.03 30.02 19.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -144.12 131.04 20.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 32' ' ' LEU . 46.3 t -81.81 109.35 15.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.179 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -89.97 157.54 17.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.423 ' CE1' ' OG ' ' A' ' 55' ' ' SER . 76.4 m-70 -139.83 113.09 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.799 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -99.67 151.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -106.52 103.34 12.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HA ' HG22 ' A' ' 76' ' ' ILE . 85.9 t -72.04 94.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.418 HG12 ' NE2' ' A' ' 75' ' ' HIS . 70.8 t -63.51 139.57 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -133.29 106.86 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -137.18 147.54 45.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 58.88 25.76 14.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 0.3 OUTLIER 69.36 34.1 3.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 24.9 m95 -136.64 148.17 47.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 84' ' ' SER . 1.3 mp -100.87 144.98 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' NE2' HG12 ' A' ' 68' ' ' VAL . 7.9 p80 -172.83 172.71 4.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' A' ' 78' ' ' GLU . 45.5 pt -143.46 153.63 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 32.02 35.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 76' ' ' ILE . 14.5 mt-10 34.66 50.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.528 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -110.88 -51.54 2.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -141.18 131.31 24.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -100.34 160.81 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.404 ' HZ ' ' CD2' ' A' ' 91' ' ' TYR . 52.6 m-85 -144.73 158.93 43.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -54.71 -27.49 40.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.512 ' HA ' HD13 ' A' ' 74' ' ' ILE . 2.2 m -174.97 -175.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD21 HG21 ' A' ' 42' ' ' ILE . 46.0 tp -63.21 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.667 ' CB ' HD13 ' A' ' 11' ' ' ILE . 62.3 tp -46.79 -55.9 7.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -53.53 -52.49 59.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.482 HD23 ' C ' ' A' ' 88' ' ' LEU . 3.7 tt -47.57 -42.78 24.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -69.33 -58.11 6.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.24 -26.9 7.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.432 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 20.5 t80 -69.87 -48.12 59.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -77.47 -18.68 56.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -60.16 -21.77 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.4 t -125.36 -26.2 3.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.467 ' C ' HG22 ' A' ' 107' ' ' THR . 1.2 m170 -104.67 131.39 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.5 t -56.22 152.9 10.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -83.16 10.45 8.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -65.42 -32.98 74.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -48.88 -48.29 42.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.822 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 56.3 m -84.74 -51.46 6.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -117.66 100.15 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -55.31 -21.8 16.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -80.99 -23.54 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.8 tp -107.86 101.88 11.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.23 94.02 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.578 ' HB ' ' CE1' ' A' ' 58' ' ' PHE . 13.8 t -166.54 166.92 15.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.181 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.467 HG22 ' C ' ' A' ' 95' ' ' HIS . 32.6 p -132.97 131.52 40.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.629 HD13 ' CD2' ' A' ' 40' ' ' TYR . 13.4 mt -40.8 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.961 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -91.02 -74.56 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.96 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -111.18 149.84 41.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.64 0.733 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.818 ' O ' HG23 ' A' ' 39' ' ' THR . 54.0 Cg_endo -69.61 -163.79 0.11 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.396 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -90.49 177.06 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.1 p -65.4 79.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -65.79 167.68 33.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 125.07 11.69 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.356 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 9.2 t -131.74 -45.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 20.8 m -64.56 93.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -78.29 115.49 18.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.836 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -72.72 -57.07 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.89 128.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 m -76.39 -46.78 25.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 110.942 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.7 p -48.66 166.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.49 112.08 0.27 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.9 p -167.13 177.81 6.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' C ' ' OE2' ' A' ' 10' ' ' GLU . 15.7 mmm180 -107.3 126.97 53.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' OE2' ' C ' ' A' ' 9' ' ' ARG . 1.4 mp0 -110.43 168.14 9.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.728 HG21 HD22 ' A' ' 86' ' ' LEU . 43.1 mt -63.07 135.69 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -95.74 104.05 15.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -76.54 -32.37 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.777 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 54.0 p -68.98 -1.2 6.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.15 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.81 -25.7 24.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.639 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 72.8 m-85 -80.32 150.37 70.7 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.653 0.739 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -30.83 21.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.609 2.206 . . . . 0.0 112.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.639 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 9.5 p-90 -75.64 6.33 4.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.777 ' CZ ' HG22 ' A' ' 14' ' ' THR . 25.4 t80 -78.63 130.23 35.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.803 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -92.71 -62.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.068 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 79.49 101.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.454 ' C ' ' O ' ' A' ' 21' ' ' GLY . 16.6 t-20 34.29 52.99 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.72 ' HE3' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -84.91 151.5 24.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ARG . 25.4 mt-10 -88.18 119.79 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' GLU . 45.9 ttp180 -37.58 -58.46 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.472 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 18.4 tp60 -47.46 -41.28 20.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.685 ' O ' HD23 ' A' ' 31' ' ' LEU . 16.3 mt-30 -72.17 -29.28 63.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.723 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.8 m -76.62 -38.22 55.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.685 ' HA ' HG21 ' A' ' 62' ' ' VAL . 21.7 t0 -83.57 -18.53 37.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 27.6 m-20 -80.84 -31.64 35.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.72 HD21 ' HE3' ' A' ' 23' ' ' MET . 3.9 pp -92.77 -39.04 11.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 35' ' ' HIS . 19.2 mt -64.8 -52.23 57.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.402 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 16.5 pttp -41.0 -38.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -80.93 -29.17 35.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 32' ' ' LEU . 21.5 m-70 -61.33 -175.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.8 -174.97 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.1 p -89.94 24.91 2.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.01 1.49 2.24 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 HG22 ' CD2' ' A' ' 32' ' ' LEU . 45.8 m -73.4 117.46 15.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 111.137 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -120.18 167.14 12.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 20' ' ' ALA . 2.0 pp -170.62 164.27 8.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.7 mp -132.96 110.76 15.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.206 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.796 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 27.7 ptt85 -102.95 162.33 13.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -110.3 104.5 13.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 44.4 ttt85 -98.0 122.36 54.74 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.586 0.708 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.77 97.41 0.64 Allowed 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.326 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 50' ' ' GLU . . . -122.94 -177.54 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -90.93 -44.06 9.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.29 10.55 29.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.157 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.659 ' HB2' ' HB3' ' A' ' 47' ' ' ALA . 17.0 mt-10 -132.96 160.27 37.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -131.51 -46.22 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.812 ' CD2' HD22 ' A' ' 85' ' ' LEU . 39.1 m-85 -121.93 174.99 6.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -152.23 144.85 24.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.192 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD11 ' A' ' 56' ' ' ILE . 13.7 mt -118.34 132.92 66.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -130.2 134.57 47.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.759 HD11 HG22 ' A' ' 54' ' ' ILE . 3.1 mp -140.28 138.86 36.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.132 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 33' ' ' LYS . 42.5 tptt -86.22 104.63 15.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 68.3 t80 -150.76 135.77 17.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 71.91 41.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 45.6 35.21 1.98 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 21.6 mt-10 -154.66 131.34 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.685 HG21 ' HA ' ' A' ' 29' ' ' ASP . 55.1 t -82.5 111.72 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.666 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.2 mptt -89.46 129.89 35.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -113.07 113.87 26.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.838 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.7 mt -110.74 148.59 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD3' ' CD ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -105.18 151.07 24.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.8 t -111.86 102.2 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.0 t -72.85 136.9 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -130.72 104.52 7.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -144.38 148.77 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.531 ' HB2' ' CD1' ' A' ' 73' ' ' TRP . 20.2 m-20 55.14 25.93 7.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 71.9 26.35 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 71' ' ' ASP . 9.5 m95 -117.27 164.22 15.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.974 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.5 mt -142.34 115.54 4.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -147.9 -179.39 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.588 ' O ' HG22 ' A' ' 77' ' ' THR . 13.5 pt -137.83 139.76 42.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 76' ' ' ILE . 10.9 t 44.67 25.2 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 51.28 46.16 26.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -107.01 -46.14 3.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -157.54 137.37 12.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.33 168.44 9.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 51.9 m-85 -147.39 169.99 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.93 -33.03 75.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 79.7 p -162.42 170.55 18.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.812 HD22 ' CD2' ' A' ' 52' ' ' PHE . 31.2 tp -58.32 -25.65 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.728 HD22 HG21 ' A' ' 11' ' ' ILE . 57.2 tp -70.1 -47.58 61.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.24 -44.84 88.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 8.0 tt -58.46 -37.79 76.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 85' ' ' LEU . 63.7 t -72.35 -49.76 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -58.88 -28.45 66.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.492 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 46.8 t80 -67.14 -51.45 53.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -74.07 -23.22 59.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.715 ' HG3' HD12 ' A' ' 108' ' ' LEU . 35.4 mt-30 -52.02 -23.67 5.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.3 t -123.01 -31.48 3.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.502 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.28 127.43 44.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.467 ' HA ' HG23 ' A' ' 107' ' ' THR . 33.8 t -51.01 141.22 14.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.53 -6.82 16.38 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 10.4 pttp -47.29 -34.63 6.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -43.21 -53.89 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.458 ' OG ' ' CE2' ' A' ' 101' ' ' PHE . 1.3 t -78.45 -49.48 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.458 ' CE2' ' OG ' ' A' ' 100' ' ' SER . 26.2 m-85 -123.77 97.14 5.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -47.99 -34.49 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -64.23 -31.66 72.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.957 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.666 HD13 ' HG2' ' A' ' 63' ' ' LYS . 2.1 tp -97.45 113.95 25.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -122.7 94.91 4.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.42 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 6.6 t -168.77 152.32 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.502 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -123.88 130.78 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.715 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.0 mt -34.41 105.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -97.67 -74.97 0.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -115.44 148.91 41.93 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.611 0.719 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -176.66 1.54 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.72 2.28 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.563 ' CE2' ' HA2' ' A' ' 114' ' ' GLY . 0.1 OUTLIER -86.83 -175.42 5.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.9 t -98.35 -74.91 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.563 ' HA2' ' CE2' ' A' ' 112' ' ' TYR . . . 161.58 178.9 35.9 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.43 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.295 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 79.8 p -120.84 132.66 55.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t -92.97 152.53 19.28 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.502 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 m -136.72 170.51 15.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 m -158.71 177.5 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.81 108.34 0.73 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.424 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -93.04 92.96 8.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.943 0.401 . . . . 0.0 110.862 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.3 p -115.42 161.55 18.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.825 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.47 83.27 0.64 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -75.18 98.86 3.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.818 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -88.83 43.34 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.845 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -88.1 166.02 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt -68.27 139.67 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 36.1 t0 -89.42 105.51 17.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CD1' HD23 ' A' ' 85' ' ' LEU . 7.6 m-85 -84.32 -20.95 31.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.695 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 18.7 p -77.11 1.45 18.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.072 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.82 -19.94 18.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.668 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 80.7 m-85 -84.21 149.15 54.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.713 0.768 . . . . 0.0 110.898 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.7 -29.44 24.13 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.668 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 10.8 p-90 -78.02 9.08 3.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.695 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.0 OUTLIER -100.29 128.07 46.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.88 -34.9 6.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.71 -136.42 13.27 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.42 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 2.6 p30 -74.16 68.56 1.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.464 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 1.9 tpp -91.69 151.81 20.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 23' ' ' MET . 36.8 mt-10 -89.51 146.0 24.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -59.18 -20.88 57.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -86.45 -52.19 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' HD23 ' A' ' 31' ' ' LEU . 14.8 tt0 -57.17 -24.83 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.793 HG23 HD21 ' A' ' 41' ' ' LEU . 2.9 m -82.2 -38.19 24.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -80.75 -11.73 59.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -94.66 -30.48 14.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -89.99 -38.76 13.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 35' ' ' HIS . 16.5 mt -64.15 -50.61 67.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.81 -24.68 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . 32.2 t -84.55 -37.19 21.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CD2' HG21 ' A' ' 39' ' ' THR . 13.2 m-70 -61.67 -176.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.838 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.04 -176.36 5.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.7 m -84.93 31.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.53 6.12 1.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.597 HG21 ' CD2' ' A' ' 35' ' ' HIS . 18.4 m -84.06 133.21 34.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.327 . . . . 0.0 111.191 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.519 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 16.3 p90 -133.48 169.09 17.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.994 0.426 . . . . 0.0 110.884 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.793 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -171.01 159.06 5.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.88 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.529 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -123.73 109.8 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.2 ptt85 -106.46 170.11 8.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -130.31 147.48 52.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.602 HH21 ' HB2' ' A' ' 53' ' ' ALA . 66.2 mtm180 -123.57 123.47 26.39 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.546 0.688 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 171.13 14.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 55.12 48.36 19.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.066 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -167.1 135.28 2.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.59 -72.33 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.505 ' CB ' ' HA ' ' A' ' 68' ' ' VAL . 3.7 pt-20 -41.45 -50.96 3.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.531 ' O ' ' CD1' ' A' ' 52' ' ' PHE . 9.1 ptt-85 47.9 40.73 13.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 51' ' ' ARG . 14.5 m-85 -158.88 138.23 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.602 ' HB2' HH21 ' A' ' 45' ' ' ARG . . . -152.07 152.34 32.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.077 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.903 HG22 HD11 ' A' ' 56' ' ' ILE . 28.4 mt -119.89 132.97 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.437 ' C ' HD12 ' A' ' 56' ' ' ILE . 1.2 t -119.39 124.03 45.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.903 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.1 137.31 46.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -84.08 125.63 32.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.56 ' CD1' ' HB ' ' A' ' 106' ' ' THR . 58.4 t80 -156.89 145.5 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.517 ' OD1' ' CE2' ' A' ' 58' ' ' PHE . 5.3 m120 45.93 54.61 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 43.57 30.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -142.22 143.59 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 82.6 t -102.9 106.3 19.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.876 ' HG2' HD13 ' A' ' 104' ' ' LEU . 4.3 mptp? -83.24 158.32 22.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -132.46 110.77 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.447 HG22 ' N ' ' A' ' 66' ' ' LYS . 8.4 mt -105.73 156.6 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.935 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -115.49 152.85 32.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.679 HG12 HG23 ' A' ' 74' ' ' ILE . 3.5 t -128.83 90.5 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.505 ' HA ' ' CB ' ' A' ' 50' ' ' GLU . 2.2 p -76.77 162.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.38 103.56 7.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -129.65 149.75 51.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.568 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 14.9 m-20 49.03 44.83 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.6 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.1 t-20 54.61 29.04 10.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.6 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.7 m95 -130.32 174.75 9.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.729 HD12 ' HA ' ' A' ' 84' ' ' SER . 4.0 mt -136.55 124.64 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 1.8 p-80 -139.23 171.05 14.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.935 HG22 ' O ' ' A' ' 66' ' ' LYS . 5.0 pt -131.6 131.71 62.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.1 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.7 t 45.07 38.79 3.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.483 ' H ' ' CD2' ' A' ' 75' ' ' HIS . 48.9 mt-10 46.16 35.91 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.25 -72.06 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -125.92 131.42 52.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -95.53 162.67 13.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.886 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ILE . 37.7 m-85 -152.53 170.49 20.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.01 -35.9 64.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.729 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.6 m -156.4 -179.43 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 89' ' ' VAL . 12.7 tp -71.02 -43.06 68.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.8 tp -51.23 -46.23 62.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -65.3 -52.74 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 88' ' ' LEU . 4.2 tt -48.83 -31.9 7.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.948 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.612 HG13 ' CD1' ' A' ' 108' ' ' LEU . 65.1 t -78.08 -46.39 26.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.72 -25.25 60.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.448 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 6.4 t80 -73.61 -48.65 31.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' OH ' HD11 ' A' ' 76' ' ' ILE . 19.4 m-85 -76.21 -18.32 59.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -59.32 -24.94 63.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 13.9 m -124.37 -24.06 4.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' ND1' ' O ' ' A' ' 91' ' ' TYR . 1.9 m170 -103.92 132.11 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 107' ' ' THR . 6.0 t -56.78 148.32 20.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.864 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.2 6.67 6.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -65.82 -32.06 73.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -44.24 -39.13 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -101.94 -42.2 6.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -120.68 86.36 2.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -41.86 -51.3 4.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -50.95 -34.37 28.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.876 HD13 ' HG2' ' A' ' 63' ' ' LYS . 3.2 tp -97.01 111.96 23.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -123.66 82.39 2.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.56 ' HB ' ' CD1' ' A' ' 58' ' ' PHE . 14.2 t -151.41 161.06 43.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 96' ' ' SER . 72.9 p -128.66 140.71 51.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.612 ' CD1' HG13 ' A' ' 89' ' ' VAL . 13.4 mt -52.01 100.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -94.16 -68.42 0.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -117.43 150.28 46.26 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.678 0.751 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.583 ' O ' HG23 ' A' ' 39' ' ' THR . 54.4 Cg_endo -69.8 -163.7 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -102.89 -175.02 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.936 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.2 m -70.99 86.2 0.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.82 175.49 6.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 119.13 6.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.686 2.257 . . . . 0.0 112.356 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.3 p -39.7 -54.51 2.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.5 t -108.58 117.72 34.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.822 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.501 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 1' ' ' GLY . 6.6 t -37.09 148.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -38.94 -53.78 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.35 -113.1 0.23 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.538 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -89.1 174.61 7.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -89.1 83.52 6.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.63 159.86 53.82 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.426 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 48.5 t -60.46 -56.86 16.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -147.81 122.3 9.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -112.75 158.15 20.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.495 HD13 ' CB ' ' A' ' 86' ' ' LEU . 78.7 mt -70.77 131.54 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.71 90.87 7.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -69.08 -30.4 68.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.614 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 14.2 p -69.53 -1.13 7.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.216 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.78 -24.0 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.67 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 73.5 m-85 -81.09 148.63 64.49 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.7 0.762 . . . . 0.0 110.946 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -28.13 25.82 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 42' ' ' ILE . 12.7 p-90 -79.23 11.16 3.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.9 t80 -97.75 130.19 44.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -113.54 -37.98 4.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.0 -137.82 21.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -71.37 68.79 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 0.0 110.869 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.503 ' CE ' ' CD2' ' A' ' 31' ' ' LEU . 6.3 ttm -99.94 157.86 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 23' ' ' MET . 34.8 mt-10 -101.16 144.41 30.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 26' ' ' GLN . 37.5 mtm180 -51.58 -56.3 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' ARG . 43.9 tt0 -37.93 -60.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -59.53 -38.75 81.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.807 HG23 HD21 ' A' ' 41' ' ' LEU . 3.4 m -57.74 -47.51 82.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.766 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.9 t0 -77.57 -27.5 51.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -74.49 -31.03 62.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 1.3 pp -93.08 -31.7 14.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 35' ' ' HIS . 25.5 mt -75.7 -51.06 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -38.21 -42.58 0.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -71.3 -37.03 71.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' LEU . 14.7 m-70 -61.56 -179.45 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.4 -175.24 4.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.12 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.4 p -83.94 18.43 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.17 -1.6 6.7 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.456 HG21 ' CD2' ' A' ' 35' ' ' HIS . 7.2 m -76.16 126.14 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.831 0.348 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.675 ' HB3' HG23 ' A' ' 56' ' ' ILE . 15.5 p90 -126.61 166.15 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.952 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.807 HD21 HG23 ' A' ' 28' ' ' THR . 1.0 OUTLIER -165.62 158.78 15.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.8 mp -122.23 109.93 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.4 ' HG3' ' HB3' ' A' ' 53' ' ' ALA . 5.5 ptm180 -106.89 172.01 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -101.37 150.28 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -124.29 137.2 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 106.41 1.67 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.679 2.252 . . . . 0.0 112.38 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -174.5 155.97 2.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -50.36 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.972 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.76 -46.2 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 26.6 tt0 -65.4 81.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -113.81 28.05 9.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -149.48 146.34 27.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' HB3' ' HG3' ' A' ' 43' ' ' ARG . . . -151.62 140.32 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.618 HG22 HD11 ' A' ' 56' ' ' ILE . 33.5 mt -113.82 122.73 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.41 ' HB2' ' ND1' ' A' ' 64' ' ' HIS . 28.4 t -118.61 126.71 52.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -135.81 143.08 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -80.55 111.29 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 58.0 t80 -151.99 140.01 20.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 72.78 34.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 56.71 25.81 10.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -151.24 149.6 29.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.766 HG21 ' HA ' ' A' ' 29' ' ' ASP . 54.2 t -81.21 117.78 27.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.106 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 3.8 mmmt -107.92 153.99 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' ND1' ' HB2' ' A' ' 55' ' ' SER . 56.8 m-70 -132.09 150.31 52.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.1 mt -133.9 110.88 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.65 146.04 54.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.927 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -118.62 138.0 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.155 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -105.2 140.21 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -130.58 102.59 6.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -145.06 150.09 36.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 73' ' ' TRP . 14.0 m-20 57.06 29.47 16.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 33.3 t30 65.53 32.19 9.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.418 ' CD1' ' HB3' ' A' ' 71' ' ' ASP . 24.9 m95 -128.92 153.81 47.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.402 HD13 ' N ' ' A' ' 85' ' ' LEU . 4.7 mt -125.88 124.54 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.07 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 75' ' ' HIS . 3.0 p-80 -154.51 179.03 9.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.519 ' O ' ' N ' ' A' ' 78' ' ' GLU . 6.8 pt -138.8 152.04 24.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.117 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.534 HG23 ' O ' ' A' ' 77' ' ' THR . 6.8 t 30.66 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 76' ' ' ILE . 6.5 tt0 37.65 49.38 1.05 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -103.2 -49.65 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.3 135.08 14.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.9 ptpp? -95.79 161.86 13.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 39.1 m-85 -148.63 158.03 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.849 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -53.29 -31.46 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -171.26 -177.57 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.484 HD21 HG21 ' A' ' 42' ' ' ILE . 58.6 tp -64.98 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.866 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.495 ' CB ' HD13 ' A' ' 11' ' ' ILE . 58.6 tp -64.71 -49.39 71.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.99 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.11 -42.44 99.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 9.7 tt -57.75 -39.95 78.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.404 HG13 ' CD1' ' A' ' 108' ' ' LEU . 28.1 t -72.5 -47.17 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.65 -23.18 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.485 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 16.0 t80 -75.61 -50.04 16.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.45 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.5 m-85 -74.72 -21.81 59.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.927 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -54.97 -24.79 25.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 59.5 m -123.43 -28.17 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.485 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.3 m170 -100.68 134.91 42.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.854 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 t -59.11 155.67 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.4 mt -91.07 6.95 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -60.29 -41.36 93.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.49 -44.05 17.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.7 m -81.18 -47.46 13.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -126.15 104.85 8.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -56.16 -21.44 22.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.94 -20.16 31.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 2.0 tp -111.89 105.82 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.449 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 4.7 m-20 -121.0 94.77 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.6 t -165.37 169.45 15.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.446 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.6 p -134.1 131.94 39.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.617 HD13 ' CE2' ' A' ' 40' ' ' TYR . 7.6 mt -44.41 104.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 29.2 mttt -94.35 -74.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 5.2 m-85 -113.47 147.45 37.52 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.616 0.722 . . . . 0.0 110.928 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 -171.31 0.46 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.656 2.237 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.63 172.39 8.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 29.2 t -83.23 99.7 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -71.89 145.66 38.63 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 175.45 8.08 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 68.0 p -126.41 172.68 9.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -83.99 34.83 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -104.57 -49.05 3.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t 64.93 41.48 4.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.42 161.94 37.66 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -160.38 147.86 16.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.85 0.357 . . . . 0.0 110.843 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -86.73 156.31 20.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.78 -31.75 0.51 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.3 t -64.14 -29.15 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.826 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -107.16 35.01 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.547 ' OE2' HD12 ' A' ' 11' ' ' ILE . 17.7 tp10 -75.0 153.5 38.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' H ' HD12 ' A' ' 11' ' ' ILE . 4.9 mp -43.31 118.91 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -68.5 92.94 0.47 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -71.18 -25.52 62.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.613 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 21.1 p -73.03 0.99 9.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.64 -28.72 19.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.65 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 67.3 m-85 -76.83 149.12 80.11 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.621 0.724 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -26.64 27.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.701 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.7 p-90 -82.05 14.07 3.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.6 t80 -89.41 127.32 35.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.651 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -103.58 -47.85 4.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 -149.18 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.457 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.78 54.68 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 6.6 ttp -78.8 158.81 28.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -79.63 131.72 36.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 ptt-85 -50.83 -50.62 56.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.12 -49.91 72.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.4 OUTLIER -58.92 -46.19 88.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.691 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.5 m -61.95 -48.28 81.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.123 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.87 ' HA ' HG11 ' A' ' 62' ' ' VAL . 36.1 t0 -63.37 -27.89 69.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -81.74 -65.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pp -47.91 -38.57 16.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.655 HD12 HG13 ' A' ' 62' ' ' VAL . 8.7 mt -58.36 -33.89 70.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 57' ' ' LYS . 37.4 mtpt -61.22 -44.83 96.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.7 t -66.75 -2.96 5.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -101.29 175.71 5.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.04 -178.33 4.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.8 p -85.69 15.43 4.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -125.62 -2.12 7.5 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.526 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.827 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.6 m -73.72 125.93 29.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 108' ' ' LEU . 16.3 p90 -127.1 169.06 13.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.691 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.5 pp -169.21 164.41 11.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.701 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.4 mp -127.26 115.74 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.35 168.11 9.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -118.31 102.98 9.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -89.86 135.91 29.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.581 0.705 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 110.44 2.56 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.695 2.263 . . . . 0.0 112.303 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -174.54 137.32 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -43.0 -69.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.7 -61.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.681 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 5.7 mp0 -74.46 79.79 1.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -83.77 -31.4 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -124.22 160.16 28.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -148.15 160.1 43.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 56' ' ' ILE . 2.8 mt -119.04 144.45 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 60.3 m -137.81 117.68 13.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.9 mp -131.93 145.32 35.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 33' ' ' LYS . 41.9 tptt -89.0 106.96 18.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.547 ' CD1' ' HB2' ' A' ' 59' ' ' ASN . 23.5 t80 -150.87 140.63 21.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.547 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 33.9 t30 66.53 33.58 6.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.6 t70 53.5 27.79 6.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -145.82 132.22 19.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.87 HG11 ' HA ' ' A' ' 29' ' ' ASP . 76.1 t -81.8 109.57 16.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.469 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 27.2 mmtt -92.91 149.31 21.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -127.48 109.54 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 66' ' ' LYS . 73.2 mt -87.13 156.21 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.158 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -108.59 128.48 54.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.401 ' HA ' HG22 ' A' ' 76' ' ' ILE . 46.4 t -104.48 102.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -79.31 127.93 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.165 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -121.2 103.87 9.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -145.31 149.24 34.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 57.1 37.22 28.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.408 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 9.7 t-20 59.63 34.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.408 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.8 m95 -128.35 160.39 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 12.3 mt -138.07 125.41 28.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.165 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.41 ' HA ' HD12 ' A' ' 88' ' ' LEU . 3.1 p80 -167.72 -175.09 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.0 pt -137.64 154.77 29.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.569 HG23 ' HB2' ' A' ' 79' ' ' ALA . 7.0 t 31.86 36.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 76' ' ' ILE . 21.8 mt-10 34.33 49.06 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.569 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.63 -33.42 11.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -163.57 127.08 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.96 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.1 pttt -83.42 141.79 31.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 28.5 m-85 -128.86 156.44 43.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -65.96 -29.88 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -166.09 -178.83 4.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.594 ' O ' HG23 ' A' ' 89' ' ' VAL . 11.3 tp -68.43 -29.01 67.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.587 HD22 HG21 ' A' ' 11' ' ' ILE . 19.8 tp -62.5 -48.43 79.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.902 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -65.25 -37.86 88.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.2 tt -62.03 -37.0 83.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 85' ' ' LEU . 57.4 t -78.51 -46.0 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -60.81 -23.42 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 11.2 t80 -72.43 -49.9 30.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.497 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.4 m-85 -75.89 -19.65 58.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.813 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.535 ' HG3' HD12 ' A' ' 108' ' ' LEU . 30.1 mt-30 -57.78 -23.2 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 41.4 t -124.06 -26.87 3.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.488 ' C ' HG22 ' A' ' 107' ' ' THR . 1.1 m170 -103.19 131.19 50.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.5 ' HA ' HG23 ' A' ' 107' ' ' THR . 13.1 t -54.11 148.03 11.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 92' ' ' TYR . 13.6 mt -78.13 -7.04 56.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.2 pttp -45.24 -44.62 11.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.454 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 7.2 mm-40 -38.0 -50.12 1.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 59.2 m -76.27 -56.37 4.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -118.16 107.59 14.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.5 ptpp? -56.42 -18.84 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -86.75 -17.99 32.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp -108.05 106.15 16.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -119.29 94.39 4.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.5 t -168.57 158.83 9.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.5 HG23 ' HA ' ' A' ' 96' ' ' SER . 21.4 p -128.06 130.74 48.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 93' ' ' GLN . 13.7 mt -39.65 102.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -92.41 -74.07 0.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -115.19 151.7 46.01 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.642 0.734 . . . . 0.0 110.937 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.827 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.78 -163.69 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.691 2.261 . . . . 0.0 112.292 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' SER . 1.9 p90 -105.4 -175.0 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' TYR . 1.6 t -34.49 -62.19 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 80.01 -162.02 46.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 90.4 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.689 2.259 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 32.3 t -73.75 111.06 8.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -103.53 34.6 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.237 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 t 56.39 42.3 27.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -98.83 122.09 41.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.88 103.17 0.22 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -109.71 165.68 11.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.362 . . . . 0.0 110.895 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -135.17 124.62 24.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.65 107.3 3.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -53.46 -45.59 69.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -104.41 85.49 2.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -114.06 161.12 18.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.2 mt -79.66 131.42 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.755 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 26.0 t0 -89.78 97.25 11.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -74.48 -28.37 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.787 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.8 p -75.34 4.12 7.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.755 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -91.57 -25.09 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.9 m-85 -82.04 150.48 65.08 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.749 0.785 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 -29.4 24.04 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.667 ' CE3' HD13 ' A' ' 42' ' ' ILE . 11.2 p-90 -78.58 10.58 3.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.968 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.787 ' CZ ' HG22 ' A' ' 14' ' ' THR . 20.0 t80 -82.56 130.41 35.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.801 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -92.58 -52.13 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.601 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 74.31 92.06 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.522 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 47.09 49.16 15.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.801 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -80.09 152.05 29.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' N ' ' HG3' ' A' ' 23' ' ' MET . 1.3 pt-20 -97.07 119.29 35.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' GLU . 27.7 ttm180 -34.2 -44.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -53.92 -60.17 3.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -55.46 -35.05 65.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 1.045 HG23 HD21 ' A' ' 41' ' ' LEU . 4.2 m -64.76 -49.75 69.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -73.48 -16.51 61.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.97 -28.61 17.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' CD2' ' CE ' ' A' ' 23' ' ' MET . 0.6 OUTLIER -92.46 -40.42 10.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 20.4 mt -66.07 -49.53 67.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -40.54 -36.36 0.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.5 t -78.32 -41.57 33.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -57.04 177.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.42 -174.94 4.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.3 m -88.7 26.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.08 1.26 2.46 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.903 HG23 ' O ' ' A' ' 111' ' ' PRO . 82.0 m -80.51 113.98 19.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 0.0 111.177 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.624 ' HB3' HG23 ' A' ' 56' ' ' ILE . 28.9 p90 -113.48 158.99 20.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.045 HD21 HG23 ' A' ' 28' ' ' THR . 1.3 pp -155.14 163.47 40.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.852 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.667 HD13 ' CE3' ' A' ' 18' ' ' TRP . 3.1 mp -133.71 115.97 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.704 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -101.45 169.68 8.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -115.23 108.21 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 1.7 mmp_? -91.79 107.29 21.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 0.0 110.843 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 45' ' ' ARG . 53.0 Cg_endo -69.87 109.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.279 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -174.17 177.78 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.138 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -80.48 -72.1 0.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.91 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.043 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -94.26 126.62 39.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.4 ttt180 -115.39 -55.4 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -109.78 158.97 17.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.91 156.51 40.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.624 HD11 HD22 ' A' ' 88' ' ' LEU . 14.0 mt -122.65 144.42 32.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.094 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.445 ' OG ' ' NE ' ' A' ' 43' ' ' ARG . 1.5 m -137.88 117.68 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.7 OUTLIER -125.83 169.17 17.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.55 ' H ' HG22 ' A' ' 56' ' ' ILE . 18.3 tptm -115.91 112.71 22.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -142.85 150.34 39.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 54.5 35.32 23.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 59.61 31.08 20.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -142.67 158.41 43.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 t -107.99 106.81 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -98.78 149.7 22.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.505 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 72.9 m-70 -123.94 127.94 48.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.8 mt -113.64 107.95 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' O ' HG22 ' A' ' 76' ' ' ILE . 5.6 pttp -72.01 141.74 49.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.51 ' CG1' HG23 ' A' ' 74' ' ' ILE . 44.5 t -105.24 131.88 53.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.3 t -108.06 134.22 50.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -116.03 106.01 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -140.18 146.82 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.578 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 75.2 m-20 56.97 38.93 29.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 79.5 m-20 56.72 39.06 29.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.578 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 39.7 m95 -143.52 162.04 36.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.964 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 84' ' ' SER . 5.2 mt -123.14 127.41 74.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.176 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.36 169.0 24.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.799 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.629 ' O ' HG22 ' A' ' 77' ' ' THR . 33.8 pt -129.15 133.44 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.095 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 76' ' ' ILE . 13.5 t 46.45 24.92 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 61.9 40.56 12.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.76 -64.98 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 81' ' ' LYS . 7.9 tptp -143.03 144.93 32.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.819 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.437 ' N ' ' HG3' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -103.74 142.85 33.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -133.56 159.21 41.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.75 -18.11 62.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.654 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.4 m -173.92 -179.14 1.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.524 HD21 HG21 ' A' ' 42' ' ' ILE . 18.2 tp -63.71 -52.91 58.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -41.53 -50.99 3.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -52.99 -45.84 68.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD22 HD11 ' A' ' 54' ' ' ILE . 8.9 tt -58.32 -41.48 84.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.593 HG13 ' CD1' ' A' ' 108' ' ' LEU . 87.4 t -68.46 -57.13 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -51.51 -33.22 30.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.483 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 36.1 t80 -65.81 -47.93 73.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.416 ' CD2' HD21 ' A' ' 97' ' ' LEU . 22.9 m-85 -76.83 -21.29 55.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.772 ' HG2' HD12 ' A' ' 108' ' ' LEU . 17.8 mt-30 -56.51 -20.19 19.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.7 m -126.34 -30.06 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.483 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.8 OUTLIER -101.25 133.04 46.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.421 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 31.7 t -58.54 153.31 16.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.5 mt -84.74 8.96 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 8.5 pttp -58.82 -40.93 85.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.0 mm-40 -49.03 -47.8 44.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 68.5 m -71.27 -45.47 63.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -135.4 117.8 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.99 -11.03 11.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -98.38 -10.32 23.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.3 tp -114.68 100.82 8.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -118.92 92.26 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.5 t -163.11 166.83 23.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.107 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.421 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 43.6 p -138.14 130.91 29.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.772 HD12 ' HG2' ' A' ' 93' ' ' GLN . 11.5 mt -41.54 105.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 13.0 mttp -95.25 -66.29 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -120.93 151.53 55.03 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.744 0.783 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.903 ' O ' HG23 ' A' ' 39' ' ' THR . 53.6 Cg_endo -69.82 -168.55 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.631 2.22 . . . . 0.0 112.375 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE1' ' O ' ' A' ' 19' ' ' PHE . 1.6 p90 -99.66 -174.32 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -64.86 -172.97 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -153.62 173.77 32.3 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 97.78 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.256 . . . . 0.0 112.368 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 41.8 m -156.05 119.02 4.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 50.0 m -97.51 109.87 22.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.42 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -43.09 -50.34 6.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -172.89 172.71 3.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.76 121.43 2.05 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.508 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 m -120.72 173.93 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.851 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -103.17 141.07 36.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 -69.81 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 73.2 m -71.61 160.68 32.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 56.3 mtp180 -102.03 149.78 23.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -114.82 152.78 31.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.529 HG21 HD22 ' A' ' 86' ' ' LEU . 22.3 mt -70.57 136.43 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -93.01 111.82 23.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -82.2 -30.94 30.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.734 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 44.5 p -72.28 2.37 6.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.01 -20.85 20.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.086 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.686 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 83.1 m-85 -84.77 149.31 53.54 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -27.69 25.85 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.701 2.267 . . . . 0.0 112.345 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.686 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.1 p-90 -81.06 15.6 1.81 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.734 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.6 t80 -92.62 117.49 30.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.556 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -72.83 -66.74 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' HA2' ' CZ ' ' A' ' 19' ' ' PHE . . . 98.62 73.65 1.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.451 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.3 p30 36.71 45.48 0.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.869 0.366 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.552 ' SD ' ' HB1' ' A' ' 20' ' ' ALA . 4.0 ptm -69.77 -176.99 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -87.9 141.59 28.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -60.29 -53.9 52.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.44 ' HG3' ' N ' ' A' ' 27' ' ' GLN . 10.3 pt20 -56.26 -41.12 75.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.961 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.44 ' N ' ' HG3' ' A' ' 26' ' ' GLN . 12.8 tt0 -63.34 -37.24 86.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.748 ' CG2' HD21 ' A' ' 41' ' ' LEU . 2.7 m -63.05 -51.26 67.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.35 -14.02 60.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' A' ' 26' ' ' GLN . 51.4 m-20 -86.72 -32.21 20.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.422 HD21 ' CE ' ' A' ' 23' ' ' MET . 3.5 pp -93.13 -33.49 14.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.6 mt -67.74 -49.76 60.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 34' ' ' SER . 13.3 pttm -41.09 -41.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 27.2 t -73.45 -39.95 64.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.404 ' CD2' HG21 ' A' ' 39' ' ' THR . 17.6 m-70 -51.01 179.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.79 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.98 -177.01 6.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.0 p -86.74 34.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.52 13.73 0.6 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 111' ' ' PRO . 16.7 m -84.52 124.53 31.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 111.164 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 22.6 p90 -121.26 155.84 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.748 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.3 pp -154.63 160.9 41.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.969 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.444 HG21 HD21 ' A' ' 85' ' ' LEU . 2.6 mp -133.93 109.89 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 48.3 ptt85 -114.12 174.07 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.67 147.29 27.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -114.32 146.35 35.64 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.546 0.689 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 106.17 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.324 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.32 -178.86 2.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.164 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -90.08 -44.65 9.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -107.64 -60.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.08 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -66.54 84.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 8.2 mmm-85 -115.66 44.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 51' ' ' ARG . 9.4 m-85 -165.34 130.16 2.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -142.94 131.59 22.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.475 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -101.22 123.24 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.3 t -116.2 124.56 50.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.483 ' N ' HD12 ' A' ' 56' ' ' ILE . 2.0 mp -129.94 136.47 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -84.05 110.44 18.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -151.04 130.0 12.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 73.53 44.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 48.18 31.15 2.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -149.57 133.08 16.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.2 t -86.96 101.6 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.148 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.535 ' HE2' HD12 ' A' ' 104' ' ' LEU . 7.4 mptt -83.93 131.31 34.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -110.68 114.83 28.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.487 HG21 HD12 ' A' ' 76' ' ' ILE . 5.0 mp -98.5 156.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.667 ' O ' HG22 ' A' ' 76' ' ' ILE . 7.2 ptmt -104.79 160.46 14.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.945 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG13 HG23 ' A' ' 74' ' ' ILE . 85.5 t -134.98 96.88 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.573 HG11 ' CE1' ' A' ' 75' ' ' HIS . 7.6 p -80.87 157.42 4.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -134.55 102.93 5.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -138.06 149.95 46.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 57.25 24.99 10.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.9 m-80 70.24 31.53 3.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -128.79 173.28 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.525 HG23 HG13 ' A' ' 67' ' ' VAL . 2.9 mt -138.83 114.79 9.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.573 ' CE1' HG11 ' A' ' 68' ' ' VAL . 3.3 p-80 -138.13 176.68 8.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.667 HG22 ' O ' ' A' ' 66' ' ' LYS . 33.3 pt -137.13 146.68 27.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.106 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 77' ' ' THR . 1.3 t 32.01 35.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.163 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.6 mt-10 44.0 50.98 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -103.15 -36.17 8.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -174.61 132.92 0.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.419 ' HD3' ' CG ' ' A' ' 75' ' ' HIS . 11.5 mmtt -91.08 137.28 32.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 43.1 m-85 -128.23 141.19 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 14.9 t0 -36.77 -37.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.918 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.3 m -165.49 -176.95 4.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.815 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD21 HG21 ' A' ' 42' ' ' ILE . 46.5 tp -61.89 -54.87 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.891 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.529 HD22 HG21 ' A' ' 11' ' ' ILE . 45.2 tp -39.8 -53.4 2.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -56.38 -51.5 68.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.2 tt -52.05 -46.08 64.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.603 HG13 ' CD1' ' A' ' 108' ' ' LEU . 93.6 t -63.08 -51.21 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.4 -36.96 76.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.981 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.443 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.5 t80 -57.83 -53.37 58.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -71.56 -32.05 67.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.972 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.657 ' HG3' HD12 ' A' ' 108' ' ' LEU . 39.4 mt-30 -44.84 -25.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 52.3 m -119.07 -33.21 4.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.505 ' C ' HG22 ' A' ' 107' ' ' THR . 0.9 OUTLIER -97.37 129.07 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 26.1 t -52.91 151.24 4.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 mt -86.69 20.27 2.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 30.6 pttt -71.09 -37.23 72.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -51.04 -41.05 59.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.4 m -85.0 -53.26 5.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -119.98 113.69 20.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -61.33 -38.89 88.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -68.03 -20.96 65.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.535 HD12 ' HE2' ' A' ' 63' ' ' LYS . 1.7 tp -109.67 115.22 29.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -130.64 95.54 3.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 10.4 t -172.54 174.07 3.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.505 HG22 ' C ' ' A' ' 95' ' ' HIS . 55.2 p -134.0 132.42 40.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.138 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.657 HD12 ' HG3' ' A' ' 93' ' ' GLN . 6.4 mt -34.84 102.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -90.56 -73.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -114.85 149.09 41.84 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.695 0.759 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.418 ' O ' HG23 ' A' ' 39' ' ' THR . 53.5 Cg_endo -69.83 -169.76 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.296 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -95.55 170.05 9.61 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 t -75.08 103.97 5.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.01 171.97 41.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.422 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 141.25 44.99 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.611 2.207 . . . . 0.0 112.373 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 28.3 p -149.52 129.01 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.8 t -44.01 134.9 4.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.805 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -145.13 127.14 15.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 m -158.94 165.17 34.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.94 123.16 5.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.477 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.6 t -145.06 157.98 43.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -111.53 121.98 46.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.793 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.09 105.45 2.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.433 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 m -115.25 82.59 1.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 57.14 50.62 11.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -119.81 161.47 20.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.6 mt -68.16 138.07 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 12' ' ' ASP . 37.6 t0 -98.72 105.81 17.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -83.36 -23.9 32.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.98 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.647 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.9 p -76.99 5.38 8.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.32 -23.16 16.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.672 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 68.8 m-85 -77.72 149.82 78.13 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.714 0.769 . . . . 0.0 110.855 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -24.68 29.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.698 2.266 . . . . 0.0 112.313 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.672 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.9 p-90 -84.6 14.77 4.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.647 ' CE1' HG22 ' A' ' 14' ' ' THR . 7.0 t80 -94.4 129.13 41.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -98.17 -63.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.461 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 95.91 97.39 1.79 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.461 ' C ' ' O ' ' A' ' 21' ' ' GLY . 1.6 p30 33.22 54.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.354 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.589 ' HE3' HD21 ' A' ' 31' ' ' LEU . 24.1 ttp -75.06 156.02 36.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 133.33 42.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.2 ttp180 -42.79 -67.71 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -49.51 -47.53 48.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' O ' HD23 ' A' ' 31' ' ' LEU . 6.6 tt0 -56.1 -20.73 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.624 ' CG2' HD21 ' A' ' 41' ' ' LEU . 0.2 OUTLIER -86.61 -44.88 11.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.633 ' HA ' HG21 ' A' ' 62' ' ' VAL . 5.9 t0 -77.02 -14.14 59.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.839 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -94.23 -34.83 12.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.671 ' C ' HD12 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -84.44 -24.97 29.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD23 ' A' ' 41' ' ' LEU . 15.5 mt -82.31 -30.94 30.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CB ' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -64.92 -33.23 75.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.938 179.821 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -75.81 -23.89 55.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 25.5 m-70 -80.69 177.34 9.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.78 -179.5 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 49.1 m -82.59 16.54 2.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.54 5.2 6.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 m -82.64 125.17 30.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 111.097 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.635 ' HB3' HG23 ' A' ' 56' ' ' ILE . 19.7 p90 -121.37 166.26 14.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.624 HD21 ' CG2' ' A' ' 28' ' ' THR . 1.1 pp -163.26 157.17 19.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.631 HD13 ' CE3' ' A' ' 18' ' ' TRP . 2.2 mp -124.84 119.92 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HG2' HD11 ' A' ' 41' ' ' LEU . 7.8 mtp180 -96.16 170.75 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.917 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.36 112.4 7.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 42.1 mtp180 -95.17 145.59 29.8 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.465 ' O ' ' N ' ' A' ' 48' ' ' GLU . 54.4 Cg_endo -69.73 -169.53 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.631 2.221 . . . . 0.0 112.373 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -49.59 89.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 46' ' ' PRO . 11.2 mm-40 -147.63 -175.01 4.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -41.92 -42.83 2.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -119.04 -175.0 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -126.66 -48.94 1.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.99 161.05 24.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.461 ' HA ' HG23 ' A' ' 67' ' ' VAL . . . -147.5 149.44 32.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.432 HD11 ' CD2' ' A' ' 88' ' ' LEU . 29.1 mt -122.83 120.51 60.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -118.02 126.45 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.635 HG23 ' HB3' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -134.71 147.56 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.091 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -87.94 120.08 28.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.803 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CE1' ' O ' ' A' ' 105' ' ' ASP . 90.0 t80 -156.87 140.92 16.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 63.96 36.69 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 t70 52.94 28.21 6.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -147.29 133.03 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.633 HG21 ' HA ' ' A' ' 29' ' ' ASP . 81.9 t -73.78 117.96 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.638 ' HG3' HD11 ' A' ' 104' ' ' LEU . 18.9 mmtm -102.22 144.6 30.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -118.4 131.78 56.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.2 mt -121.29 98.01 5.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.145 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 pptp? -64.22 148.01 51.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG23 ' HA ' ' A' ' 53' ' ' ALA . 12.3 t -123.6 146.3 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.459 HG21 ' NE2' ' A' ' 75' ' ' HIS . 18.9 m -121.68 155.71 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.195 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.33 102.36 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -133.32 149.81 51.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 53.6 35.65 21.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.573 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 33.1 m120 60.13 35.21 21.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.573 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 19.7 m95 -134.4 173.96 11.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.7 mt -137.92 129.56 39.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.459 ' NE2' HG21 ' A' ' 68' ' ' VAL . 23.7 p-80 -152.25 -177.72 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 78' ' ' GLU . 20.4 pt -143.69 143.76 23.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 79' ' ' ALA . 11.9 t 38.56 27.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 76' ' ' ILE . 48.1 mt-10 48.61 45.52 21.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' ' 77' ' ' THR . . . -97.95 -44.35 6.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.476 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 1.3 tppp? -153.26 139.0 17.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -99.86 126.39 45.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.92 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 34.7 m-85 -120.35 147.98 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -48.31 -29.22 3.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.4 m -170.07 179.81 3.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.618 ' O ' HG23 ' A' ' 89' ' ' VAL . 4.9 tt -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.0 tp -48.7 -51.33 29.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -63.57 -38.7 92.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.571 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 7.1 tt -62.27 -33.36 74.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.921 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 85' ' ' LEU . 26.0 t -78.28 -48.16 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.0 mm-40 -58.78 -28.53 66.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.585 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 52.3 t80 -69.18 -48.92 60.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -75.94 -21.09 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.474 HE21 HG12 ' A' ' 89' ' ' VAL . 33.1 mt-30 -56.41 -22.06 29.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.2 m -125.07 -28.75 3.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.585 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 1.0 OUTLIER -101.24 130.43 47.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 6.7 t -55.14 149.41 12.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.876 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.5 mt -79.88 12.09 2.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 9.0 pttp -68.89 -32.11 71.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.946 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -48.82 -46.69 42.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 70.2 m -84.78 -47.36 10.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -125.32 96.93 5.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.8 pttp -45.2 -51.47 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -54.02 -30.74 48.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.638 HD11 ' HG3' ' A' ' 63' ' ' LYS . 1.4 tp -95.55 107.86 20.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' O ' ' CE1' ' A' ' 58' ' ' PHE . 9.7 t70 -123.39 101.72 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.87 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.1 t -171.79 161.61 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.45 ' CG2' ' HA ' ' A' ' 96' ' ' SER . 71.0 p -133.03 133.11 42.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.162 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' ' 40' ' ' TYR . 7.0 mt -45.07 107.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.401 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 57.2 mttt -100.08 -71.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CD1' ' HB3' ' A' ' 109' ' ' LYS . 1.6 m-85 -112.81 147.8 37.95 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.717 0.77 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -172.73 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.744 2.296 . . . . 0.0 112.374 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.77 -174.91 3.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.1 t -104.53 102.23 11.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -109.93 -174.06 20.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 137.5 35.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 72.2 p 43.36 37.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -89.26 32.62 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.821 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.4 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m 62.58 42.24 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -87.29 82.81 7.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.91 80.95 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 m -142.23 161.33 38.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.936 0.398 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -59.17 175.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.32 53.01 0.65 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.542 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 54.6 p -160.25 132.43 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.836 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -162.54 149.95 13.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -52.36 163.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 56.4 mt -71.38 133.41 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -75.24 91.49 2.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -76.02 -35.89 59.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.875 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 65.6 p -61.32 -8.9 4.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.91 -26.98 57.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 18' ' ' TRP . 61.0 m-85 -77.07 147.3 76.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.715 0.769 . . . . 0.0 110.958 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -31.93 19.65 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.731 2.287 . . . . 0.0 112.344 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.507 ' CE2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 p-90 -72.14 1.77 6.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.875 ' CZ ' HG22 ' A' ' 14' ' ' THR . 9.8 t80 -84.09 134.91 34.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.22 -49.81 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.07 -144.35 18.37 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 22.4 t30 -94.48 54.66 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 7.3 ptm -74.18 -175.39 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -108.12 140.05 41.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -44.26 -52.64 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -52.0 -50.39 61.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -51.7 -44.6 63.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.951 HG23 HD21 ' A' ' 41' ' ' LEU . 16.0 m -58.77 -50.76 72.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.58 ' CG ' HG11 ' A' ' 62' ' ' VAL . 8.0 t0 -68.26 -29.53 68.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.478 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 54.2 m-20 -72.47 -36.62 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.5 HD12 ' HD2' ' A' ' 35' ' ' HIS . 2.1 pp -89.19 -27.84 20.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.687 HD12 HG22 ' A' ' 28' ' ' THR . 22.1 mt -79.7 -47.99 14.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.001 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.478 ' CD ' ' HA ' ' A' ' 30' ' ' ASN . 19.6 ptmt -35.74 -30.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 38.9 t -88.8 -41.62 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.605 ' CG ' HG21 ' A' ' 39' ' ' THR . 19.9 m-70 -46.14 171.0 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.95 -174.79 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.4 p -87.18 30.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.832 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.34 9.09 1.07 Allowed Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.432 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.605 HG21 ' CG ' ' A' ' 35' ' ' HIS . 52.9 m -82.86 126.11 32.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CD1' ' HB3' ' A' ' 108' ' ' LEU . 17.8 p90 -126.29 164.98 19.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.954 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.951 HD21 HG23 ' A' ' 28' ' ' THR . 1.1 pp -169.58 159.06 8.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -123.86 123.85 67.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -118.08 174.09 6.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' C ' ' CD ' ' A' ' 44' ' ' GLU . 1.9 tm-20 -137.96 118.6 13.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.13 142.23 24.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.591 0.71 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 91.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.716 2.277 . . . . 0.0 112.332 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.939 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -147.39 140.28 24.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.103 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -62.58 -66.55 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.454 ' HB1' ' OE2' ' A' ' 50' ' ' GLU . . . -49.96 -58.62 5.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.939 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 8.6 mp0 -119.32 135.6 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -119.61 -35.44 3.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -104.82 143.76 32.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 65' ' ' ILE . . . -141.74 162.68 34.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.845 HG22 HD11 ' A' ' 56' ' ' ILE . 48.9 mt -131.51 130.47 62.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.493 ' CB ' HG21 ' A' ' 28' ' ' THR . 1.4 t -121.38 129.56 53.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.845 HD11 HG22 ' A' ' 54' ' ' ILE . 2.7 mp -140.59 130.02 26.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.192 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -80.0 112.28 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE2' ' CG ' ' A' ' 59' ' ' ASN . 85.3 t80 -145.3 155.37 43.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.459 ' CG ' ' CE2' ' A' ' 58' ' ' PHE . 23.2 m-20 52.22 38.35 24.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.8 t0 56.62 26.6 11.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -151.34 125.77 9.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' CG ' ' A' ' 29' ' ' ASP . 0.8 OUTLIER -71.24 115.78 11.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.145 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HG3' HD13 ' A' ' 104' ' ' LEU . 49.7 mmtt -91.88 142.67 27.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -113.78 128.31 56.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 45.1 mt -116.43 153.5 18.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' N ' HG22 ' A' ' 65' ' ' ILE . 40.3 pttt -119.8 137.62 53.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' HA ' HG22 ' A' ' 76' ' ' ILE . 40.2 t -100.49 151.16 5.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.8 t -133.04 130.46 58.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.92 102.86 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -134.69 150.11 50.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.404 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.5 t70 53.34 41.24 32.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 57.62 25.28 11.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.404 ' CD1' ' O ' ' A' ' 71' ' ' ASP . 19.7 m95 -128.8 166.77 18.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.9 mt -131.98 130.47 61.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -158.08 177.39 11.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.859 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.552 HG23 HD11 ' A' ' 88' ' ' LEU . 19.9 pt -131.0 137.67 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.102 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.521 HG22 ' O ' ' A' ' 76' ' ' ILE . 7.0 t 42.86 25.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 54.25 45.85 26.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -92.09 -48.94 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.121 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HD2' ' CE1' ' A' ' 82' ' ' PHE . 5.6 tmtm? -148.98 122.5 9.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 80' ' ' LYS . 9.0 ptpt -78.86 121.05 24.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE1' ' HD2' ' A' ' 80' ' ' LYS . 48.8 m-85 -116.85 170.79 8.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 -31.09 28.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.5 p -152.66 175.15 13.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.2 tp -70.7 -24.67 62.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 30.1 tp -65.83 -46.24 79.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.25 -40.46 96.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.608 HD23 ' C ' ' A' ' 88' ' ' LEU . 6.7 tt -60.31 -35.84 76.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.502 HG13 ' CD1' ' A' ' 108' ' ' LEU . 58.2 t -75.91 -49.12 26.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -62.23 -34.05 75.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.428 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 72.4 t80 -56.67 -55.79 29.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -69.89 -34.02 72.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.96 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.818 ' HG3' HD12 ' A' ' 108' ' ' LEU . 48.6 mt-30 -42.28 -25.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.951 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 12.2 m -118.61 -31.43 4.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.501 ' C ' HG22 ' A' ' 107' ' ' THR . 0.5 OUTLIER -100.68 127.64 47.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.478 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -51.75 146.46 7.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.819 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.407 ' HB3' HD23 ' A' ' 104' ' ' LEU . 3.1 mt -79.9 12.18 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -66.42 -36.44 82.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.22 -47.41 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 50.0 p -78.46 -43.87 26.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -129.22 104.5 7.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -19.02 8.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -86.89 -19.67 28.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 63' ' ' LYS . 7.5 tp -109.26 106.0 15.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -119.03 91.28 3.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 t -172.29 157.71 4.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.501 HG22 ' C ' ' A' ' 95' ' ' HIS . 41.6 p -123.67 131.79 53.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.818 HD12 ' HG3' ' A' ' 93' ' ' GLN . 12.1 mt -34.56 103.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -93.05 -74.02 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -112.71 147.26 36.75 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.753 0.787 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 39' ' ' THR . 54.2 Cg_endo -69.77 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.679 2.253 . . . . 0.0 112.404 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.421 ' CZ ' ' HA2' ' A' ' 114' ' ' GLY . 1.1 p90 -92.55 -174.93 3.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.4 t -83.66 72.7 10.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.421 ' HA2' ' CZ ' ' A' ' 112' ' ' TYR . . . -90.38 -179.98 43.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.532 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 119.69 6.6 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.737 2.292 . . . . 0.0 112.364 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 117' ' ' SER . 33.4 m -108.72 166.07 11.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 116' ' ' SER . 2.2 m 37.04 39.04 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.504 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.1 m -88.78 130.62 35.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -166.25 140.19 4.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.54 56.48 3.84 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.425 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 m -115.76 92.62 3.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.386 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -133.0 146.98 52.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.78 164.26 46.58 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 25.3 p -83.1 -43.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.9 0.381 . . . . 0.0 110.892 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -126.23 49.14 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -114.19 165.68 12.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.497 HG21 HD22 ' A' ' 86' ' ' LEU . 53.5 mt -85.78 128.4 39.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.207 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.22 105.79 16.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -84.45 -27.05 27.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.077 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 74.7 p -70.73 -3.81 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.137 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.48 -30.81 20.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.07 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.615 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 61.2 m-85 -73.39 145.47 85.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.708 0.766 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -28.24 25.31 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 2.269 . . . . 0.0 112.379 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 14.3 p-90 -77.89 5.16 10.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.971 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.077 ' CZ ' HG22 ' A' ' 14' ' ' THR . 1.1 t80 -94.76 128.0 41.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -94.92 -61.22 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.82 112.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 22' ' ' ASN . 25.1 t30 40.25 53.24 2.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 110.917 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.415 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 4.1 ttm -89.35 155.9 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -83.52 147.03 28.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -28.13 67.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -80.76 -46.19 15.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.8 tp60 -57.23 -37.78 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.705 HG23 HD21 ' A' ' 41' ' ' LEU . 1.6 m -63.91 -50.62 68.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.175 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' HA ' HG21 ' A' ' 62' ' ' VAL . 9.3 t0 -73.83 -13.0 60.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -86.71 -33.58 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.703 HD12 ' HD2' ' A' ' 35' ' ' HIS . 1.2 pp -92.64 -38.19 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' N ' ' HG ' ' A' ' 31' ' ' LEU . 14.6 mt -65.35 -49.05 70.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -37.47 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.3 t -79.63 -32.5 41.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.703 ' HD2' HD12 ' A' ' 31' ' ' LEU . 17.3 m-70 -62.23 -177.16 0.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.26 -174.91 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 m -87.37 22.65 2.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.66 -3.97 3.58 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.478 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.1 m -71.81 126.86 30.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.822 0.344 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.882 ' CE2' HD13 ' A' ' 108' ' ' LEU . 14.0 p90 -128.61 167.42 17.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.705 HD21 HG23 ' A' ' 28' ' ' THR . 2.8 pp -169.44 165.83 10.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.508 HG21 HD21 ' A' ' 85' ' ' LEU . 2.7 mp -132.71 117.05 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' HG2' ' CD1' ' A' ' 41' ' ' LEU . 9.5 mtm-85 -103.07 164.83 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -129.27 120.26 25.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -98.49 138.13 20.76 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.707 . . . . 0.0 110.895 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 94.37 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.376 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -163.24 174.23 12.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -94.02 -58.33 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.6 -55.04 25.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 25.4 mp0 -123.69 128.89 50.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -132.21 27.08 4.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CD1' HD22 ' A' ' 85' ' ' LEU . 6.0 m-85 -157.4 153.26 26.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . -150.07 156.27 41.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.817 HG22 HD11 ' A' ' 56' ' ' ILE . 18.0 mt -133.68 112.51 17.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -114.86 118.48 33.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.817 HD11 HG22 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -128.77 135.04 63.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -80.28 118.79 22.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.5 t80 -158.96 133.75 8.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 73.06 28.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 59.56 32.73 21.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -151.57 123.38 8.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG21 ' HA ' ' A' ' 29' ' ' ASP . 69.0 t -74.92 108.62 6.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.184 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.514 ' HG3' HD13 ' A' ' 104' ' ' LEU . 29.3 mmtt -91.48 144.47 25.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.32 115.82 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.0 mt -109.72 107.15 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt -75.51 135.11 40.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.495 ' HA ' HG22 ' A' ' 76' ' ' ILE . 75.7 t -91.59 137.26 22.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.159 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.6 t -104.04 135.75 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.463 ' HG2' ' CG1' ' A' ' 74' ' ' ILE . 8.2 mt-10 -124.87 102.4 7.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -139.2 150.04 45.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 52.91 44.36 30.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 52.97 38.52 27.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -131.38 174.27 10.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.463 ' CG1' ' HG2' ' A' ' 69' ' ' GLU . 11.7 mt -146.28 125.14 4.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.573 ' HA ' HD12 ' A' ' 88' ' ' LEU . 14.4 p80 -165.21 -175.02 3.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.513 ' O ' ' N ' ' A' ' 78' ' ' GLU . 41.3 pt -137.62 153.43 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.769 HG23 ' O ' ' A' ' 77' ' ' THR . 1.8 t 29.81 38.82 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.207 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' A' ' 76' ' ' ILE . 3.1 mp0 36.48 50.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.4 -39.47 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 0.0 OUTLIER -158.98 122.66 3.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -82.06 121.96 27.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 80' ' ' LYS . 44.0 m-85 -114.09 169.61 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -36.92 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.785 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.4 t -151.88 178.54 9.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.564 ' O ' HG23 ' A' ' 89' ' ' VAL . 23.8 tp -69.7 -27.14 64.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD22 HG21 ' A' ' 11' ' ' ILE . 37.9 tp -62.49 -51.45 67.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.08 -40.03 92.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 75' ' ' HIS . 9.5 tt -60.51 -34.1 73.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG13 ' CD1' ' A' ' 108' ' ' LEU . 94.5 t -81.14 -50.54 16.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.146 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -57.78 -21.63 42.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.968 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.451 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 67.1 t80 -74.59 -49.76 20.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -74.3 -27.8 60.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.962 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.89 -24.59 1.52 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.4 t -119.96 -33.7 3.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.457 ' C ' HG22 ' A' ' 107' ' ' THR . 0.6 OUTLIER -98.0 127.34 43.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 5.3 t -53.15 158.25 1.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 104' ' ' LEU . 3.9 mt -84.58 -5.82 59.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 31.5 pttt -47.15 -43.64 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.438 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 41.5 mt-10 -45.4 -48.06 13.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.963 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 69.7 m -81.82 -42.94 18.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -133.37 96.2 3.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -50.35 6.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -53.09 -33.4 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.514 HD13 ' HG3' ' A' ' 63' ' ' LYS . 4.1 tp -98.39 111.16 23.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -126.33 92.33 3.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 12.9 t -166.52 165.25 16.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.457 HG22 ' C ' ' A' ' 95' ' ' HIS . 49.9 p -132.61 130.67 40.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.138 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.882 HD13 ' CE2' ' A' ' 40' ' ' TYR . 9.7 mt -33.93 102.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 25.9 mttm -91.16 -74.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -116.95 148.34 41.98 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.72 0.771 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -169.66 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.312 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -102.03 -175.0 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 30.5 t -104.56 114.73 29.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.23 152.63 10.82 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.28 53.98 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.356 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 1.8 t -157.95 150.28 22.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 75.5 m -148.12 171.04 16.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -63.93 142.99 58.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.816 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.8 p -45.81 -48.93 15.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.68 167.45 24.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -133.45 42.42 3.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -173.75 168.12 4.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.91 -90.04 0.87 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 44.9 m -71.88 -53.02 14.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 10' ' ' GLU . 20.3 ttt180 63.26 43.63 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 9' ' ' ARG . 15.5 mp0 -34.61 149.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 57.3 mt -45.19 133.94 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' OD2' ' HB2' ' A' ' 15' ' ' ALA . 36.0 t0 -83.92 88.53 7.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.851 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' CE1' ' HB ' ' A' ' 11' ' ' ILE . 13.1 m-85 -71.65 -27.88 63.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.045 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 52.4 p -69.0 -2.54 10.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' HB2' ' OD2' ' A' ' 12' ' ' ASP . . . -88.29 -26.39 22.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.613 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 72.5 m-85 -81.33 147.48 60.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -30.95 21.28 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.646 2.231 . . . . 0.0 112.364 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.613 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 10.3 p-90 -74.46 4.32 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.045 ' CZ ' HG22 ' A' ' 14' ' ' THR . 2.0 t80 -95.3 129.53 42.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . . . -99.53 -54.29 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.62 115.13 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.49 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.439 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 24.8 t30 39.73 48.56 1.96 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.918 0.389 . . . . 0.0 110.951 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.577 ' HE1' HD21 ' A' ' 31' ' ' LEU . 5.4 ttm -80.89 162.47 23.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' N ' ' CG ' ' A' ' 23' ' ' MET . 28.0 mt-10 -91.56 124.87 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -47.54 -59.12 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.405 ' HG3' ' ND2' ' A' ' 30' ' ' ASN . 8.9 tp60 -47.42 -53.46 13.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' O ' HD23 ' A' ' 31' ' ' LEU . 4.9 tt0 -56.13 -34.04 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.801 HG23 HD21 ' A' ' 41' ' ' LEU . 1.8 m -64.98 -46.99 79.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -79.88 -15.26 57.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' ND2' ' HG3' ' A' ' 26' ' ' GLN . 79.7 m-20 -91.98 -29.2 16.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD21 ' HE1' ' A' ' 23' ' ' MET . 1.8 pp -92.12 -31.02 15.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 35' ' ' HIS . 53.3 mt -77.38 -49.48 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.6 pttt -40.39 -38.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.6 t -78.03 -33.27 51.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CD2' HG21 ' A' ' 39' ' ' THR . 15.2 m-70 -59.2 -176.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.14 -174.74 5.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.3 p -88.16 28.62 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.789 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.4 8.78 1.89 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.467 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 111' ' ' PRO . 99.0 m -84.85 118.63 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CE2' HD13 ' A' ' 108' ' ' LEU . 13.8 p90 -119.81 166.68 12.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.801 HD21 HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -168.2 161.0 12.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.9 mp -129.48 122.55 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.563 ' HB3' ' HB3' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -131.75 165.62 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -91.81 151.37 20.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.4 ' CG ' ' HD2' ' A' ' 46' ' ' PRO . 25.1 ttm-85 -109.88 137.53 20.48 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.674 0.749 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 45' ' ' ARG . 53.5 Cg_endo -69.74 86.42 0.58 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.683 2.255 . . . . 0.0 112.346 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.68 -176.83 6.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -95.13 -35.35 11.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.75 -70.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -66.77 88.1 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -100.32 23.68 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -158.14 146.16 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -151.64 145.23 24.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.69 HG22 HD11 ' A' ' 56' ' ' ILE . 7.3 mt -110.07 127.22 67.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -119.52 118.41 30.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.69 HD11 HG22 ' A' ' 54' ' ' ILE . 0.8 OUTLIER -133.96 136.33 53.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.119 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.3 tptp -83.29 125.27 31.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -161.69 145.63 12.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 25.3 t30 52.75 46.96 25.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 48.74 25.17 0.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -143.11 140.22 30.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.05 106.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.122 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -85.13 130.39 34.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.887 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -105.28 108.67 20.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.459 HG12 ' CE1' ' A' ' 101' ' ' PHE . 83.4 mt -89.29 152.66 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.119 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 65' ' ' ILE . 16.4 pttt -116.57 133.57 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.597 ' HA ' HG22 ' A' ' 76' ' ' ILE . 97.8 t -102.95 155.11 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.449 ' N ' HG12 ' A' ' 67' ' ' VAL . 21.4 m -139.6 156.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -131.4 108.3 9.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -138.43 150.07 46.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 52.36 32.58 11.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 64.87 31.74 11.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.477 ' CZ3' ' N ' ' A' ' 83' ' ' ASP . 38.8 m95 -129.96 174.61 9.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 84' ' ' SER . 6.5 mt -139.5 128.21 27.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.03 -175.62 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.703 ' O ' HG22 ' A' ' 77' ' ' THR . 19.4 pt -141.87 137.5 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.703 HG22 ' O ' ' A' ' 76' ' ' ILE . 9.2 t 48.42 25.05 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 58.69 43.96 18.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.47 -75.03 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.052 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.554 ' HG2' ' CZ ' ' A' ' 82' ' ' PHE . 5.8 tptp -134.76 138.39 44.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.13 112.37 24.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.566 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 41.5 m-85 -108.26 137.29 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.477 ' N ' ' CZ3' ' A' ' 73' ' ' TRP . 11.4 t70 -34.29 -37.39 0.05 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.534 ' HA ' HD12 ' A' ' 74' ' ' ILE . 3.8 m -164.91 -175.82 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 42' ' ' ILE . 56.8 tp -61.49 -55.94 25.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 85' ' ' LEU . 66.4 tp -37.14 -51.6 0.99 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -60.06 -50.66 72.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' HA ' ' CD2' ' A' ' 82' ' ' PHE . 6.5 tt -52.68 -36.47 57.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.42 -51.55 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -58.22 -27.98 64.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.546 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 85.2 t80 -65.72 -53.43 41.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.519 ' CE1' HD23 ' A' ' 97' ' ' LEU . 42.8 m-85 -71.08 -26.44 63.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.446 ' HG2' HD12 ' A' ' 108' ' ' LEU . 13.3 mt-30 -48.01 -26.83 1.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 18.0 m -119.44 -30.36 4.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.546 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.5 OUTLIER -99.38 131.46 45.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.837 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.45 ' HA ' ' CG2' ' A' ' 107' ' ' THR . 1.0 OUTLIER -50.39 160.41 0.39 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.519 HD23 ' CE1' ' A' ' 92' ' ' TYR . 9.0 mt -101.59 17.36 23.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 5.8 ptpt -65.68 -44.66 85.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 8.8 mp0 -38.56 -52.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.505 ' OG ' ' CE1' ' A' ' 101' ' ' PHE . 9.8 t -74.49 -56.42 4.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CE1' ' OG ' ' A' ' 100' ' ' SER . 46.7 m-85 -117.12 106.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.3 pttm -60.37 -14.96 21.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.828 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -95.83 0.81 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.455 ' CD1' ' HE3' ' A' ' 63' ' ' LYS . 5.8 tp -127.84 79.4 1.89 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -97.25 86.21 3.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.1 t -161.25 171.58 18.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.453 HG22 ' C ' ' A' ' 95' ' ' HIS . 40.3 p -133.5 134.65 43.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.6 HD13 ' CE2' ' A' ' 40' ' ' TYR . 17.2 mt -38.98 112.15 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -104.55 -74.07 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -113.75 148.36 39.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.653 0.739 . . . . 0.0 110.971 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 39' ' ' THR . 53.2 Cg_endo -69.74 -173.13 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.723 2.282 . . . . 0.0 112.396 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.455 ' CE2' ' O ' ' A' ' 113' ' ' SER . 1.8 p90 -87.21 -174.59 4.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.455 ' O ' ' CE2' ' A' ' 112' ' ' TYR . 5.2 t -70.65 -173.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -123.57 -158.91 10.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.519 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 145.09 56.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.378 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.5 t -116.42 -48.87 2.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t -152.33 127.89 10.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.52 179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.554 -0.218 . . . . 0.0 112.554 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 1' ' ' GLY . 2.4 t 34.67 41.53 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.331 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -75.94 128.47 35.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.8 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 -154.18 19.76 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -141.54 123.44 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -152.94 121.96 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.75 75.09 0.73 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.503 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 p -163.81 168.61 19.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.904 0.383 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -98.12 41.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -94.35 141.62 28.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.601 HG21 HD22 ' A' ' 86' ' ' LEU . 40.7 mt -78.51 145.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -87.99 104.38 16.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -88.27 -33.89 17.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.579 HG22 ' CE1' ' A' ' 19' ' ' PHE . 28.2 p -60.83 -13.45 15.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.02 -26.52 56.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.652 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 63.3 m-85 -74.86 148.13 84.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.67 0.748 . . . . 0.0 110.924 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -29.11 24.86 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.686 2.257 . . . . 0.0 112.388 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.658 ' CE3' HD13 ' A' ' 42' ' ' ILE . 14.6 p-90 -78.08 10.16 3.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.579 ' CE1' HG22 ' A' ' 14' ' ' THR . 14.9 t80 -84.23 131.81 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.799 ' CB ' HD13 ' A' ' 41' ' ' LEU . . . -119.93 -39.45 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' MET . . . 74.07 -143.89 32.72 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.444 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 35.7 p-10 -63.54 76.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.921 0.391 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.574 ' HE3' HD21 ' A' ' 31' ' ' LEU . 2.3 tpp -100.83 150.7 22.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' HG3' ' CB ' ' A' ' 27' ' ' GLN . 9.5 pt-20 -96.43 128.71 43.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.623 ' N ' HH22 ' A' ' 43' ' ' ARG . 4.5 tmm_? -40.85 -46.35 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.426 ' CG ' ' N ' ' A' ' 27' ' ' GLN . 8.7 pt20 -52.84 -54.0 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.493 ' CB ' ' HG3' ' A' ' 24' ' ' GLU . 8.6 tt0 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.805 HG22 HD12 ' A' ' 32' ' ' LEU . 4.2 m -60.03 -50.2 74.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.579 ' HA ' HG21 ' A' ' 62' ' ' VAL . 3.4 t70 -72.78 -35.42 67.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -64.8 -32.17 73.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD21 ' HE3' ' A' ' 23' ' ' MET . 1.5 pp -93.15 -36.45 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.805 HD12 HG22 ' A' ' 28' ' ' THR . 35.3 mt -71.48 -47.03 58.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 34' ' ' SER . 15.6 ptmt -41.41 -46.45 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 33' ' ' LYS . 1.3 t -67.89 -40.32 83.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 39' ' ' THR . 13.4 m-70 -53.67 -175.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.45 -175.16 3.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.5 m -84.04 24.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.406 ' CA ' ' HE2' ' A' ' 109' ' ' LYS . . . -132.33 -7.68 2.76 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.75 HG23 ' O ' ' A' ' 111' ' ' PRO . 98.9 m -73.49 128.38 35.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.151 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 108' ' ' LEU . 12.4 p90 -134.39 163.06 30.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.817 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -160.21 166.49 29.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.817 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.3 mp -126.18 109.92 22.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.104 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.623 HH22 ' N ' ' A' ' 25' ' ' ARG . 5.8 ptm180 -99.65 166.73 10.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -117.76 141.7 48.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.534 ' HD3' ' HB2' ' A' ' 53' ' ' ALA . 0.5 OUTLIER -118.32 161.01 37.28 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ALA . 53.3 Cg_endo -69.8 139.15 39.37 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.346 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' PRO . . . -34.94 -35.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 46' ' ' PRO . 32.9 tt0 -58.35 -63.02 1.42 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.92 -75.02 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 45' ' ' ARG . 3.4 tp10 -152.7 152.0 31.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.527 ' HG2' ' CD2' ' A' ' 52' ' ' PHE . 9.3 ttm180 -75.27 -43.91 48.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.849 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' CD2' ' HG2' ' A' ' 51' ' ' ARG . 29.1 m-85 -133.76 158.36 43.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.534 ' HB2' ' HD3' ' A' ' 45' ' ' ARG . . . -148.03 159.06 44.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.086 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.856 HG22 HD11 ' A' ' 56' ' ' ILE . 25.3 mt -134.83 124.07 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.6 m -117.61 127.32 53.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.856 HD11 HG22 ' A' ' 54' ' ' ILE . 1.9 mp -137.18 138.31 45.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.111 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.7 tptp -82.66 128.65 34.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.485 ' CD1' HD12 ' A' ' 104' ' ' LEU . 47.2 t80 -173.33 145.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 60.58 45.83 10.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 44.92 28.43 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -151.13 133.64 15.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.579 HG21 ' HA ' ' A' ' 29' ' ' ASP . 93.3 t -81.29 114.72 22.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.147 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.765 ' HG3' HD13 ' A' ' 104' ' ' LEU . 31.1 mmtm -88.82 150.7 22.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -137.47 117.16 13.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.798 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.0 mt -103.29 149.65 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.169 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.8 mtmt -103.88 103.57 13.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.546 ' HA ' HG22 ' A' ' 76' ' ' ILE . 69.8 t -78.07 95.04 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.101 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.4 t -73.74 153.66 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -133.14 104.8 6.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.2 149.98 50.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' O ' ' CD1' ' A' ' 73' ' ' TRP . 6.8 m-20 52.98 38.63 27.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.602 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 3.8 t30 58.95 29.7 19.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.602 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 14.5 m95 -129.26 167.26 17.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.513 HG23 ' CG1' ' A' ' 67' ' ' VAL . 4.5 mt -132.63 127.6 56.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.122 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -156.4 170.7 21.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.832 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.546 HG22 ' HA ' ' A' ' 67' ' ' VAL . 37.4 pt -138.69 147.0 25.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 76' ' ' ILE . 11.5 t 39.61 26.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.171 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 76' ' ' ILE . 31.9 mt-10 46.22 48.94 12.98 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.51 -47.47 5.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -161.02 136.85 8.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.943 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -89.57 134.14 34.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CD2' ' HA ' ' A' ' 88' ' ' LEU . 40.5 m-85 -123.47 140.71 52.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 82' ' ' PHE . 24.2 t70 -36.34 -33.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.2 m -174.73 -176.25 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.49 ' O ' HG23 ' A' ' 89' ' ' VAL . 19.5 tp -59.12 -44.27 92.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.601 HD22 HG21 ' A' ' 11' ' ' ILE . 57.9 tp -50.25 -56.66 10.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.971 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -53.65 -51.96 61.48 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.602 HD23 ' C ' ' A' ' 88' ' ' LEU . 7.7 tt -49.52 -42.57 44.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.967 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.493 HG13 ' CD1' ' A' ' 108' ' ' LEU . 57.9 t -69.34 -50.79 48.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -59.83 -26.76 66.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.527 ' CD1' ' CE1' ' A' ' 95' ' ' HIS . 77.6 t80 -66.59 -54.95 17.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.694 ' CD2' HD21 ' A' ' 97' ' ' LEU . 20.3 m-85 -70.93 -24.89 62.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -49.19 -24.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 m -123.02 -31.0 3.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.527 ' CE1' ' CD1' ' A' ' 91' ' ' TYR . 0.7 OUTLIER -97.2 128.71 44.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.825 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.449 ' HA ' HG23 ' A' ' 107' ' ' THR . 1.1 t -50.17 153.61 1.4 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.694 HD21 ' CD2' ' A' ' 92' ' ' TYR . 6.3 mt -91.88 20.05 6.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.424 ' CG ' ' N ' ' A' ' 99' ' ' GLU . 38.3 pttt -71.13 -44.45 65.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' N ' ' CG ' ' A' ' 98' ' ' LYS . 0.5 OUTLIER -36.81 -53.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.2 t -76.43 -53.39 8.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -116.73 99.19 6.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -52.36 -26.55 12.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' A' ' 102' ' ' LYS . 5.3 pt20 -79.74 -23.01 42.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.765 HD13 ' HG3' ' A' ' 63' ' ' LYS . 8.9 tp -104.22 103.39 13.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -117.45 94.94 4.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 t -171.53 169.29 6.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.52 HG22 ' C ' ' A' ' 95' ' ' HIS . 36.8 p -132.62 130.88 40.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.713 HD13 ' CE2' ' A' ' 40' ' ' TYR . 8.2 mt -34.36 102.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' HE2' ' CA ' ' A' ' 38' ' ' GLY . 13.5 mtmm -88.9 -75.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -116.81 152.85 49.02 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.697 0.761 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.75 ' O ' HG23 ' A' ' 39' ' ' THR . 53.4 Cg_endo -69.78 -163.55 0.11 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.725 2.283 . . . . 0.0 112.375 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.9 -175.01 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 84.3 p -66.71 89.96 0.16 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -70.39 143.88 38.05 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 112.34 3.04 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 0.0 112.302 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 3.2 m -83.09 41.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 94.2 p -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.923 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.543 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -156.46 145.61 20.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -146.95 172.38 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.25 133.85 4.06 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -108.93 167.32 10.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.9 p -87.28 149.23 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.42 -40.94 2.44 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.451 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p 43.61 41.63 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.897 0.38 . . . . 0.0 110.892 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.0 tpt85 -79.12 86.15 4.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -118.75 165.21 14.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 34.8 mt -60.96 146.42 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -96.04 102.57 14.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -80.95 -28.52 35.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.982 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.615 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 47.2 p -70.23 -8.75 52.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.24 -25.67 36.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.678 ' CD2' ' CZ2' ' A' ' 18' ' ' TRP . 62.2 m-85 -73.78 146.8 85.97 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.653 0.74 . . . . 0.0 111.015 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -27.53 26.4 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.729 2.286 . . . . 0.0 112.319 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.678 ' CZ2' ' CD2' ' A' ' 16' ' ' TYR . 16.7 p-90 -79.79 13.33 2.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.958 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' A' ' 14' ' ' THR . 11.3 t80 -96.49 128.65 43.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.724 ' HB2' HD13 ' A' ' 41' ' ' LEU . . . -89.87 -62.16 1.53 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.092 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 22' ' ' ASN . . . 93.56 108.55 1.95 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 21' ' ' GLY . 4.3 m-80 34.09 42.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.5 ' HG3' ' N ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -80.06 150.25 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' N ' ' HG3' ' A' ' 23' ' ' MET . 51.2 mm-40 -86.64 142.42 28.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -54.89 -48.25 73.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.944 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -54.19 -60.57 3.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -47.73 -49.34 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.602 HG22 HD12 ' A' ' 32' ' ' LEU . 52.3 m -50.39 -53.59 28.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.657 ' HA ' HG21 ' A' ' 62' ' ' VAL . 11.5 t0 -68.81 -22.06 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -75.79 -37.36 59.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 pp -91.3 -30.88 16.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.602 HD12 HG22 ' A' ' 28' ' ' THR . 14.5 mt -72.72 -48.26 40.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -39.6 -41.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.0 m -75.67 -39.98 56.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.612 ' CD2' HG21 ' A' ' 39' ' ' THR . 6.4 m-70 -48.62 178.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.56 -175.99 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.047 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 m -88.15 36.45 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.23 14.75 0.48 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.612 HG21 ' CD2' ' A' ' 35' ' ' HIS . 22.8 m -85.41 115.49 23.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 0.0 111.087 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.6 ' CD2' HD22 ' A' ' 108' ' ' LEU . 22.3 p90 -116.14 162.92 16.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.958 HD12 ' N ' ' A' ' 42' ' ' ILE . 0.6 OUTLIER -171.4 170.93 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.958 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.3 mp -137.35 125.35 32.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' NH2' ' ND1' ' A' ' 64' ' ' HIS . 5.6 ptt-85 -134.77 172.21 13.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.827 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -103.71 101.96 11.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' CD ' ' HB3' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -74.12 132.49 79.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.866 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.555 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.73 -163.0 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.668 2.245 . . . . 0.0 112.386 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' ' 46' ' ' PRO . . . 75.03 43.93 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 47' ' ' ALA . 14.7 pt-20 32.56 36.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.522 ' HB3' ' CD ' ' A' ' 45' ' ' ARG . . . -106.46 -174.1 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 49' ' ' ALA . 7.1 mp0 -31.31 103.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -41.31 -38.82 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.487 ' CE2' HD22 ' A' ' 85' ' ' LEU . 4.1 m-30 -110.93 149.8 30.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB2' ' HG2' ' A' ' 45' ' ' ARG . . . -149.98 123.37 9.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.714 HG22 HD11 ' A' ' 56' ' ' ILE . 18.2 mt -95.93 123.26 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -117.66 125.46 50.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.714 HD11 HG22 ' A' ' 54' ' ' ILE . 4.1 mp -130.81 143.3 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HE3' ' N ' ' A' ' 61' ' ' GLU . 12.9 tptm -98.62 101.58 13.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' ' HB ' ' A' ' 106' ' ' THR . 8.1 t80 -140.21 133.44 29.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 58' ' ' PHE . 9.9 t30 74.27 31.03 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.3 t0 60.25 31.33 20.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 12.1 mt-10 -150.18 128.25 11.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.826 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 29' ' ' ASP . 94.9 t -80.26 112.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.709 ' HG2' HD13 ' A' ' 104' ' ' LEU . 2.1 mptp? -95.77 129.62 42.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.49 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 96.7 m-70 -107.82 110.06 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.6 mt -103.26 103.96 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HE2' ' N ' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -59.26 147.09 36.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.86 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.4 t -113.36 126.96 70.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 83.3 t -96.49 132.22 41.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.41 102.24 7.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -141.43 141.89 33.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.45 ' CG ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 m-20 57.62 39.99 27.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.541 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 4.7 m-20 57.17 32.91 22.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.541 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 15.4 m95 -128.52 150.61 50.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.4 mt -127.24 129.77 70.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.402 ' HB3' ' O ' ' A' ' 80' ' ' LYS . 5.6 p80 -166.87 -175.06 2.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.845 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 78' ' ' GLU . 39.4 pt -140.08 157.01 25.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.79 HG23 ' O ' ' A' ' 77' ' ' THR . 1.4 t 30.86 36.93 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.518 ' N ' ' O ' ' A' ' 76' ' ' ILE . 44.0 mt-10 37.02 52.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.49 -34.92 11.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.131 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 75' ' ' HIS . 2.8 tppt? -174.33 124.94 0.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 133.54 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.5 m-85 -122.89 145.91 48.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.809 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -41.26 -37.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.9 m -175.51 -175.0 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.773 ' O ' HG23 ' A' ' 89' ' ' VAL . 38.3 tp -54.44 -44.33 72.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.1 tp -51.17 -55.27 18.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.975 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.29 -50.74 70.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.611 HD23 ' C ' ' A' ' 88' ' ' LEU . 5.8 tt -57.17 -39.83 76.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 85' ' ' LEU . 90.7 t -65.62 -51.09 66.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.68 -40.79 76.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.809 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.449 ' O ' ' ND1' ' A' ' 95' ' ' HIS . 33.5 t80 -54.72 -51.99 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -74.42 -31.02 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.865 ' HG2' HD12 ' A' ' 108' ' ' LEU . 12.5 mm-40 -48.87 -19.83 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.0 m -125.9 -33.0 2.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.458 ' C ' HG22 ' A' ' 107' ' ' THR . 1.7 m170 -97.98 130.37 44.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.453 ' HA ' HG23 ' A' ' 107' ' ' THR . 12.5 t -56.42 157.2 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 12.6 mt -88.22 16.95 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 99' ' ' GLU . 16.2 pttm -68.45 -42.07 79.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.855 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 98' ' ' LYS . 6.8 mm-40 -43.46 -51.69 6.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.5 m -74.87 -49.26 21.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.53 100.07 5.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -51.64 -27.63 12.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -71.82 -27.06 62.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.709 HD13 ' HG2' ' A' ' 63' ' ' LYS . 1.5 tp -104.88 114.52 28.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -125.97 93.13 3.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.534 ' HB ' ' CD2' ' A' ' 58' ' ' PHE . 5.5 t -169.38 160.51 9.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.458 HG22 ' C ' ' A' ' 95' ' ' HIS . 25.1 p -127.33 132.95 50.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.136 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.865 HD12 ' HG2' ' A' ' 93' ' ' GLN . 21.1 mt -34.93 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 26.3 mttt -96.25 -74.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.918 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -113.18 146.19 34.73 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 110.978 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.65 -176.06 1.33 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.699 2.266 . . . . 0.0 112.359 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -79.66 -174.39 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 83.2 p -72.02 82.15 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -116.31 -169.12 15.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 0.42 5.61 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.408 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 18.3 t -47.33 145.71 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.789 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.1 t -109.65 36.07 3.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.1 t -64.72 94.6 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.959 0.409 . . . . 0.0 110.844 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 m -130.69 104.91 7.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.846 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.55 129.5 4.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.6 m -65.73 152.86 43.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.827 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.8 p -111.49 91.42 3.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.78 49.09 57.51 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.492 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -127.69 124.67 38.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.927 0.394 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 10.8 mtp-105 -63.18 94.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.36 163.68 17.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.6 mt -81.7 135.18 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -94.27 109.52 21.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -70.56 -20.82 62.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.051 HG22 ' CZ ' ' A' ' 19' ' ' PHE . 80.9 p -81.3 3.19 24.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.97 -22.69 22.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.691 ' CG ' ' CZ2' ' A' ' 18' ' ' TRP . 77.2 m-85 -82.41 149.26 61.03 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.678 0.751 . . . . 0.0 110.967 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -27.51 26.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.736 2.291 . . . . 0.0 112.337 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.691 ' CZ2' ' CG ' ' A' ' 16' ' ' TYR . 13.5 p-90 -81.15 15.45 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 1.051 ' CZ ' HG22 ' A' ' 14' ' ' THR . 10.9 t80 -94.76 124.4 38.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.403 ' HB1' ' HB2' ' A' ' 23' ' ' MET . . . -85.42 -59.4 2.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.401 ' CA ' ' CZ ' ' A' ' 19' ' ' PHE . . . 92.13 82.95 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.438 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 25.7 t30 43.87 44.64 5.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.755 0.312 . . . . 0.0 110.823 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.403 ' HB2' ' HB1' ' A' ' 20' ' ' ALA . 40.2 ttp -71.39 157.84 37.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.915 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.13 124.69 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -41.11 -64.7 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -42.15 -56.79 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -51.47 -32.65 27.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.774 ' CG2' HD21 ' A' ' 41' ' ' LEU . 1.8 m -66.18 -49.72 66.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -73.91 -10.83 60.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -89.83 -41.13 12.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.603 HD12 ' HD2' ' A' ' 35' ' ' HIS . 3.3 pp -82.91 -34.12 26.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 35' ' ' HIS . 13.9 mt -68.83 -56.44 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.934 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -38.86 -41.43 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -73.61 -35.33 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.603 ' HD2' HD12 ' A' ' 31' ' ' LEU . 47.8 m-70 -60.72 -177.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.73 177.39 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 p -83.55 19.73 1.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.29 5.92 4.26 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.822 HG23 ' O ' ' A' ' 111' ' ' PRO . 90.4 m -80.98 126.8 31.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.737 0.303 . . . . 0.0 111.186 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.588 ' CD2' HD22 ' A' ' 108' ' ' LEU . 19.1 p90 -122.71 164.26 18.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.774 HD21 ' CG2' ' A' ' 28' ' ' THR . 2.0 pp -160.43 165.68 30.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 3.1 mp -140.97 110.26 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.822 ' NH1' ' HB3' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -116.76 169.61 9.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -109.44 107.79 18.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 45' ' ' ARG . 1.2 ptm85 -82.13 137.54 46.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.618 0.723 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 103.18 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.596 2.197 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 50' ' ' GLU . . . -168.67 160.94 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -80.23 -71.01 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.32 -48.51 46.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.523 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 17.6 mp0 -112.54 137.17 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -119.31 -46.18 2.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -104.9 152.81 22.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.822 ' HB3' ' NH1' ' A' ' 43' ' ' ARG . . . -149.65 152.83 36.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.684 HG22 HD11 ' A' ' 56' ' ' ILE . 16.0 mt -116.7 138.26 47.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.3 t -131.16 122.98 27.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.684 HD11 HG22 ' A' ' 54' ' ' ILE . 2.4 mp -131.67 142.77 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -88.67 112.01 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -146.59 140.14 25.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 61.86 40.82 12.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 52.81 33.29 13.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.84 135.43 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.445 ' CG1' HD12 ' A' ' 32' ' ' LEU . 87.6 t -87.08 113.34 24.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.682 ' HG2' HD13 ' A' ' 104' ' ' LEU . 6.1 mptt -89.42 136.64 32.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -113.12 103.68 11.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.601 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 71.7 mt -91.44 154.15 3.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.439 ' N ' HG22 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -116.22 146.82 42.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' A' ' 53' ' ' ALA . 20.0 t -114.59 139.24 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -117.37 158.33 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -134.41 102.45 5.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.7 ttmt -132.46 149.61 52.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 51.45 37.6 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.519 ' O ' ' CE3' ' A' ' 73' ' ' TRP . 2.0 m-80 59.81 37.83 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.519 ' CE3' ' O ' ' A' ' 72' ' ' ASN . 18.4 m95 -130.92 174.86 9.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.28 123.05 9.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -158.15 -175.05 5.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.737 HG23 HD11 ' A' ' 88' ' ' LEU . 32.8 pt -135.93 147.69 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 77' ' ' THR . 6.7 t 33.92 32.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 76' ' ' ILE . 23.0 mt-10 47.58 48.19 17.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.807 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -96.17 -55.98 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . 2.4 mmmp? -135.8 120.62 18.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -82.27 112.02 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 80' ' ' LYS . 83.9 m-85 -112.9 167.83 10.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.37 -29.82 25.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.809 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 67.1 m -145.48 174.85 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.433 HD21 HG21 ' A' ' 42' ' ' ILE . 19.6 tp -68.02 -44.32 76.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 tp -49.53 -53.59 22.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.999 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.98 -45.5 31.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.737 HD11 HG23 ' A' ' 76' ' ' ILE . 8.8 tt -60.59 -41.11 94.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.16 -55.99 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.11 -34.35 43.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.461 ' CZ ' ' HE3' ' A' ' 80' ' ' LYS . 9.4 t80 -61.34 -53.05 61.63 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.468 ' HE2' HD21 ' A' ' 88' ' ' LEU . 22.7 m-85 -73.92 -22.22 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.964 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.682 ' CG ' HD12 ' A' ' 108' ' ' LEU . 18.1 mt-30 -54.38 -22.56 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 42.5 m -125.59 -29.57 3.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.466 ' C ' HG22 ' A' ' 107' ' ' THR . 1.3 m170 -99.02 130.04 45.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.515 ' HA ' HG23 ' A' ' 107' ' ' THR . 17.5 t -48.72 132.13 17.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.03 -10.87 2.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 101' ' ' PHE . 7.7 ptmt -46.82 -31.07 2.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -47.02 -43.8 19.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.2 t -81.1 -62.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 98' ' ' LYS . 51.0 m-85 -107.65 158.3 17.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -93.25 -28.04 16.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -85.23 -1.71 57.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.682 HD13 ' HG2' ' A' ' 63' ' ' LYS . 5.3 tp -114.67 106.86 14.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.44 85.92 2.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.3 t -165.82 160.77 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.515 HG23 ' HA ' ' A' ' 96' ' ' SER . 26.8 p -126.37 130.44 50.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.682 HD12 ' CG ' ' A' ' 93' ' ' GLN . 21.2 mt -34.24 100.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -89.31 -73.31 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -116.36 150.93 46.25 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.732 0.777 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.822 ' O ' HG23 ' A' ' 39' ' ' THR . 52.8 Cg_endo -69.83 -169.03 0.31 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.674 2.249 . . . . 0.0 112.311 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.579 ' CD1' ' O ' ' A' ' 112' ' ' TYR . 0.1 OUTLIER -97.64 149.54 22.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.956 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.447 ' HB2' ' CE1' ' A' ' 35' ' ' HIS . 2.8 t -35.23 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.541 ' HA2' ' CZ ' ' A' ' 112' ' ' TYR . . . 112.2 171.58 18.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.418 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 126.69 13.6 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.615 2.21 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 10.4 t -67.01 151.28 47.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 74.7 m -61.47 93.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.536 -179.966 . . . . . . . . 0 0 . 1 stop_ save_