data_2ee2_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 2ee2 _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 ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 143.66 12.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.436 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.73 135.56 30.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.605 2.203 . . . . 0.0 112.388 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 p -123.09 -20.2 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.21 143.37 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.66 148.85 37.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.89 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.47 176.3 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 54.93 41.47 31.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -91.43 129.31 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.37 147.99 19.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' HG23 ' A' ' 37' ' ' VAL . 2.1 m -112.31 137.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -114.0 127.36 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.49 101.2 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.59 -59.33 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -137.83 179.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -53.58 -40.27 65.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 m -118.19 18.58 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.1 mt -152.74 141.82 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 t -108.41 140.31 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 91' ' ' VAL . 36.0 t -120.87 107.79 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -101.8 160.82 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.445 ' CH2' HD11 ' A' ' 52' ' ' ILE . 32.9 p90 -167.77 159.93 12.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -89.96 129.98 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -58.46 127.56 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -67.14 154.65 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.45 -6.41 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.84 105.38 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -79.75 5.69 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 47' ' ' VAL . 7.1 pt -83.16 -23.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 46' ' ' ILE . 12.6 m -57.6 128.96 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.43 -49.58 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -157.44 -179.86 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CE2' ' CB ' ' A' ' 93' ' ' ALA . 66.2 m-85 -116.28 124.44 50.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.38 114.44 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.445 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.2 mp -104.45 99.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 30.4 p90 -153.31 133.97 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -157.79 164.74 36.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . . . -75.97 157.57 32.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.24 -39.11 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 13.3 p-80 -72.72 -44.37 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -52.27 164.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -110.8 152.7 26.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -55.86 -27.74 53.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.22 -28.98 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.66 11.3 39.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.38 134.52 36.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.542 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 34.0 m-80 -58.4 174.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -141.63 129.98 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.9 t -122.49 102.17 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -98.8 108.95 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -112.62 150.89 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.7 p -45.28 136.32 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -13.14 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.2 -33.29 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.81 102.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.91 -18.44 13.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.9 p -146.17 170.12 17.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.08 178.65 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -134.63 140.59 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.0 mt -115.49 139.8 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -138.95 168.56 19.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.44 46.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.99 177.56 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.68 143.73 27.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 53.9 Cg_endo -69.78 145.67 57.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.3 t70 40.14 54.73 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 87' ' ' TYR . 29.2 m -135.63 134.16 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -70.87 128.05 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.54 ' CE1' HG22 ' A' ' 85' ' ' THR . 15.2 m-85 -129.95 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.36 110.68 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 90' ' ' GLU . 21.0 mt -103.02 155.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 89' ' ' ILE . 31.6 tt0 -159.04 125.96 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.461 ' CG2' HG13 ' A' ' 37' ' ' VAL . 63.8 t -105.82 119.67 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.64 123.05 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.438 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -85.61 148.96 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 p -171.52 150.39 2.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -109.01 171.92 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -67.89 -12.43 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.01 -73.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.1 148.94 18.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.06 146.2 26.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.436 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -113.41 158.09 14.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.01 52.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 155.17 66.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 p -82.23 179.96 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.09 146.57 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.2 ttm -84.01 113.37 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -112.32 151.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -115.84 140.93 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.03 153.85 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.6 101.42 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.9 p -63.66 169.3 4.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -91.71 170.27 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -76.59 128.4 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.788 0.328 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.58 143.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.33 50.55 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -122.84 -22.19 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -99.88 143.13 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.76 148.79 36.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.67 178.34 6.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 56.38 40.92 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -95.7 130.25 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.87 24.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.09 134.31 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -114.16 127.84 56.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 101.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.03 -61.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -146.18 177.98 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 p -57.78 -26.4 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.2 p -128.07 28.77 5.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -148.34 136.83 21.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 36' ' ' SER . 58.7 mt -152.12 144.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' HG21 ' A' ' 35' ' ' ILE . 32.1 t -112.17 130.39 55.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 45.0 t -113.59 103.27 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -98.69 143.68 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 42.0 p90 -150.61 164.57 35.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.79 143.09 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.482 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 11.5 m170 -72.58 133.26 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -86.18 143.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.0 -16.28 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.14 123.5 20.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -102.06 1.7 36.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 pt -95.86 -22.06 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -44.03 113.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -58.47 -48.49 80.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 p -171.05 -179.74 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -113.51 120.5 41.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -97.76 109.02 21.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.39 84.37 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.11 118.72 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -136.27 138.14 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.0 p90 -165.95 153.31 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 154.11 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.71 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.3 p-80 -62.75 -39.76 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.531 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -57.66 164.14 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -104.43 168.25 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.99 -19.6 64.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -80.87 -30.55 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.14 16.59 22.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.92 136.65 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -106.81 153.46 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.544 ' H ' ' NE ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -135.57 158.63 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.4 t -122.22 102.28 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.68 129.96 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.5 177.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -63.33 135.26 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.5 m -54.31 -25.01 21.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.89 -32.82 74.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.31 111.02 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 21.4 m-85 -74.18 -3.41 29.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 80.6 p -162.08 169.96 20.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.33 173.73 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -137.36 129.53 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.9 mt -103.72 151.37 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 -178.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.25 45.96 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.3 mt -101.22 144.38 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.4 143.5 93.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.9 Cg_endo -69.75 152.02 69.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.346 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' PRO . 22.7 t70 35.34 53.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.551 HG21 ' CE2' ' A' ' 87' ' ' TYR . 94.0 m -128.0 132.76 49.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -76.75 109.55 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CE2' HG21 ' A' ' 85' ' ' THR . 13.2 m-85 -111.56 121.17 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 54.2 m-85 -83.25 106.24 14.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 90' ' ' GLU . 21.5 mt -100.27 140.19 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 89' ' ' ILE . 25.5 mt-10 -140.5 125.08 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.509 HG11 ' CG ' ' A' ' 39' ' ' TRP . 73.1 t -107.59 98.33 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -128.38 130.42 6.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.52 149.19 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.4 t -172.2 139.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -109.39 172.6 6.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -70.75 -30.49 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.93 162.73 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.49 127.47 49.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.3 153.26 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.56 45.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.23 46.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.62 2.213 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -80.59 176.22 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.6 137.06 54.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 31.4 ttm -63.08 113.07 2.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 mt -105.33 137.7 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 1.0 OUTLIER -112.67 142.17 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.45 154.83 46.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -132.38 108.5 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 p -69.46 166.05 19.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -83.13 171.88 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.69 125.67 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.02 143.15 10.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.531 0.682 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.29 30.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 t -125.12 -14.27 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -112.04 140.09 47.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.03 147.97 35.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.07 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 175.97 8.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 56.33 49.38 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -99.91 154.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.94 -178.55 29.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 89' ' ' ILE . 31.6 m -140.81 120.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -99.41 135.99 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.13 102.44 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -77.1 -54.35 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.2 m -145.82 172.58 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -53.01 -24.59 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.2 27.93 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.93 123.39 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mt -143.28 126.84 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.0 t -94.22 138.54 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 91.8 t -116.73 107.65 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -105.43 138.6 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 48.5 p90 -142.84 166.48 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.86 138.03 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 7.3 m170 -67.47 131.51 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.55 140.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.2 -18.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.81 100.47 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -80.19 4.82 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.3 pt -77.97 -16.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.89 126.85 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.19 -41.76 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 p -165.67 174.47 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -111.41 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -92.55 115.48 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 93.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -82.75 148.29 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE1' ' CB ' ' A' ' 65' ' ' ASN . 29.6 p90 -155.67 134.17 11.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 11.1 p90 -162.53 163.7 27.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -73.8 146.34 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.49 -49.47 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 21.5 p-80 -60.62 -43.33 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 5.8 m-20 -57.84 173.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -115.3 150.63 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -54.07 -39.73 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 6.3 pt-20 -55.1 -45.96 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.44 14.13 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.57 128.27 33.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.429 ' CB ' ' CE1' ' A' ' 54' ' ' TYR . 11.5 m-80 -53.02 149.0 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 18.9 mtm105 -120.45 123.99 44.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.55 112.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.36 121.53 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.77 160.91 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -53.65 138.11 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -56.01 -17.15 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -79.23 -30.73 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.24 105.45 2.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.7 m-85 -65.28 -18.08 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 24.9 p -146.95 160.3 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.54 -175.83 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -140.5 127.42 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.36 143.38 32.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.14 173.62 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 60.24 47.63 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.9 171.07 7.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.4 143.49 26.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.78 65.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 38.97 50.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.2 m -129.72 123.78 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.82 126.53 47.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 33.1 m-85 -90.15 102.77 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.451 ' CD1' HG11 ' A' ' 27' ' ' VAL . 17.9 mt -97.16 147.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.442 ' N ' HG21 ' A' ' 89' ' ' ILE . 7.1 tm-20 -148.78 126.74 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.563 ' CG2' ' CG1' ' A' ' 37' ' ' VAL . 42.5 t -106.57 116.32 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.06 131.43 4.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -88.71 154.24 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.1 p -173.07 145.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 8.4 p-10 -109.89 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -72.04 -10.58 59.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.74 -71.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.88 158.57 14.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.65 132.38 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.95 152.19 17.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.23 47.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.47 60.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -79.31 -175.91 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.86 127.55 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 ttm -60.3 115.56 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.9 mt -109.76 150.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -118.62 145.91 45.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.89 154.06 49.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -128.52 117.31 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.1 p -74.7 175.6 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -91.78 168.35 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.61 115.61 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.16 148.42 14.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 54.4 Cg_endo -69.71 138.52 38.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -127.02 -36.72 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -94.08 146.04 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 144.54 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.63 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -179.24 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 53.36 40.07 30.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 4.6 p -94.83 106.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.189 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.36 176.45 18.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.98 122.57 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -108.34 134.13 51.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.91 113.91 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.49 -44.22 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 m -163.32 -179.63 6.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.1 p -49.54 -40.22 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -123.03 41.37 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -152.91 122.78 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mt -145.99 126.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -100.46 132.95 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 91' ' ' VAL . 46.9 t -113.57 109.13 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -97.57 151.85 19.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -155.77 161.89 40.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -88.57 153.84 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.606 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.2 m170 -80.26 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.67 169.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.39 -27.44 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -88.49 115.34 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.89 6.69 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.485 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -77.06 -20.53 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.54 139.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.65 -50.55 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -167.61 174.12 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 76.9 m-85 -103.22 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.32 114.26 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -104.1 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 81' ' ' LEU . 11.2 p90 -131.68 138.03 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -157.34 151.84 25.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HB1' ' CE1' ' A' ' 58' ' ' HIS . . . -69.91 141.03 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.52 -28.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.8 p-80 -78.94 -32.94 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 9.4 t0 -68.77 173.5 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -108.71 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.33 -18.41 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.65 -19.38 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.414 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . . . -100.84 12.46 37.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.67 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.53 158.33 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.92 130.66 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.42 102.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -97.62 126.93 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.2 175.28 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 p -67.13 136.52 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.3 p -53.79 -17.1 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.77 -32.33 52.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.92 99.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 14.0 m-85 -61.27 -13.54 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 p -150.08 163.2 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.25 176.24 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.11 138.7 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.0 142.16 46.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -140.06 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 64.27 33.7 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 54' ' ' TYR . 3.9 mt -97.33 151.24 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.52 145.52 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.53 65.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 39.82 48.93 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.8 m -132.02 126.49 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -58.53 142.62 48.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -145.83 118.97 8.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.51 109.81 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.1 mt -103.96 146.97 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -151.38 133.53 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.428 ' CG2' HG11 ' A' ' 37' ' ' VAL . 32.4 t -113.41 138.6 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.5 128.71 3.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.29 133.7 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.9 p -167.44 158.19 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 34.6 p30 -110.8 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -67.16 -25.78 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 -70.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.29 159.95 13.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.79 152.88 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -124.97 161.15 19.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.14 39.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.16 69.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.1 p -73.29 166.24 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.56 148.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.2 ttm -74.41 117.11 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 25' ' ' VAL . 11.0 mt -106.75 140.57 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 106' ' ' ILE . 2.1 pp20? -114.25 138.83 49.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.27 157.6 39.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -134.91 101.33 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.4 p -57.33 173.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -96.23 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -79.16 134.47 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.98 6.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.3 Cg_endo -69.75 132.25 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.283 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -124.63 -1.09 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -122.8 145.34 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 146.89 35.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.6 171.82 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 57.06 41.59 27.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' OD1' ' A' ' 104' ' ' ASP . 14.2 p -95.22 125.23 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.74 -179.67 16.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 89' ' ' ILE . 31.6 m -137.17 119.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -104.09 125.63 50.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.33 129.19 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.54 -46.24 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -147.45 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -71.27 -18.3 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -133.62 33.3 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -153.04 127.62 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -143.82 125.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -97.26 145.91 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 91' ' ' VAL . 30.4 t -126.98 132.75 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -119.48 148.95 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 46.6 p90 -159.12 161.11 36.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -93.18 143.28 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.505 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 23.5 m170 -67.27 130.33 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -71.32 160.14 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -87.04 113.09 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 2.35 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 pt -77.15 -23.92 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -55.21 125.13 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -77.22 -42.87 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -165.19 164.07 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 93' ' ' ALA . 2.5 m-85 -103.08 139.51 38.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -108.0 128.32 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.64 91.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm105 -74.92 117.12 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CB ' HD13 ' A' ' 78' ' ' LEU . 22.7 p90 -125.76 137.45 53.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -169.31 136.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 155.11 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.77 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 3.5 p-80 -61.47 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.602 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 4.3 m-20 -52.89 173.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -122.65 153.81 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.76 -34.12 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.427 ' OE2' ' CB ' ' A' ' 63' ' ' ALA . 3.1 pp20? -61.63 -40.16 93.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . . . -94.54 14.23 21.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.97 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.23 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -137.56 137.07 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.94 101.55 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.88 129.01 35.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.02 155.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -50.3 146.17 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -67.89 -3.08 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -89.11 -8.91 52.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.424 ' CG ' HG23 ' A' ' 70' ' ' THR . 6.4 mm-40 -91.15 116.45 28.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 20.0 m-85 -80.35 7.88 8.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.538 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.7 p -164.77 177.82 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.56 -175.6 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -147.78 145.8 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 54' ' ' TYR . 75.5 mt -120.13 153.34 36.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -144.58 174.18 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 56.5 51.09 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 87' ' ' TYR . 32.4 mt -110.46 159.18 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.7 mt -83.35 141.64 42.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 12.2 t0 52.48 50.42 18.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 92.1 m -137.44 132.53 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -73.32 120.76 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.477 ' CE2' HD22 ' A' ' 81' ' ' LEU . 16.7 m-85 -114.18 107.48 15.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -67.04 115.73 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 90' ' ' GLU . 27.3 mt -113.0 141.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' N ' HG21 ' A' ' 89' ' ' ILE . 21.7 mt-10 -147.65 118.56 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.417 ' CG2' HG12 ' A' ' 37' ' ' VAL . 85.6 t -94.85 120.05 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.61 120.96 2.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -86.97 136.8 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 p -166.45 159.2 14.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -111.01 167.55 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 t -59.49 -25.89 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.3 157.71 15.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.6 p -101.26 153.94 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -121.1 162.71 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.521 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.5 54.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 158.89 55.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.0 p -83.69 174.31 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD1' ' CG1' ' A' ' 25' ' ' VAL . 7.2 p-10 -47.36 128.92 12.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.1 ttm -62.84 108.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 25' ' ' VAL . 11.2 mt -105.99 146.3 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.85 127.53 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.406 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . . . -110.14 148.9 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.05 128.05 54.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.6 p -89.9 167.78 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -82.66 169.87 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 113' ' ' ALA . 4.1 mmmm -87.26 99.31 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.46 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 p30 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.61 148.92 10.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.55 0.691 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 94' ' ' CYS . 53.9 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.6 p -117.67 -40.26 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 10.3 tt0 -92.4 151.71 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -112.13 149.0 40.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.24 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 58.56 26.79 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 p -77.0 147.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.55 174.26 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.433 HG12 ' CG1' ' A' ' 37' ' ' VAL . 33.3 m -147.4 132.97 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 3.8 ptmt -111.34 160.57 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.79 90.18 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD2' ' HE2' ' A' ' 28' ' ' LYS . 38.2 mt -67.69 -46.53 72.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -146.78 -176.33 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -72.55 -12.57 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 t -125.84 -23.75 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 19.1 mt-10 -96.41 146.64 24.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 34' ' ' GLU . 35.8 mt -160.33 128.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 5.5 t -102.48 144.46 30.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 91' ' ' VAL . 51.0 t -131.48 109.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -99.33 140.23 33.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CH2' ' C ' ' A' ' 75' ' ' SER . 49.6 p90 -138.98 176.93 8.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.12 130.98 54.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 71' ' ' SER . 4.5 m170 -58.79 136.47 57.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.01 138.92 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 44' ' ' GLU . 3.6 pp -44.68 -24.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 43' ' ' LEU . 8.4 mt-10 -90.6 109.63 20.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -87.03 10.13 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.4 pt -75.9 -21.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.44 148.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.6 pt-20 -89.64 -38.02 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 t -170.53 159.72 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 88.4 m-85 -96.47 111.69 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.26 139.32 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mp -122.39 90.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 52.2 ttm-85 -73.38 123.77 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 10.4 p90 -135.07 141.8 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.476 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 21.7 p90 -171.45 151.32 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 148.23 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.51 -50.7 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -62.53 -40.79 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -53.06 159.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -105.13 157.73 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -54.11 -36.11 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.79 -23.16 66.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.78 9.22 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.3 129.22 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 5.6 m120 -98.56 137.25 37.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -110.69 124.14 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.31 114.12 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.31 151.84 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' THR . 19.2 m -136.48 148.07 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' VAL . 24.9 p -34.29 146.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 61.2 p -62.84 -26.15 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.83 -25.58 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -77.96 118.61 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 11.1 m-85 -87.87 18.98 3.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.589 ' C ' ' CH2' ' A' ' 39' ' ' TRP . 24.4 p -165.37 178.58 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.38 176.47 8.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -148.14 127.25 12.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.0 mt -106.75 146.66 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.64 159.59 41.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 64.5 54.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.58 165.54 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.61 140.71 29.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.39 65.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 13.6 t70 43.65 49.04 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.4 m -126.16 126.01 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -68.95 106.27 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -105.62 122.03 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.91 96.78 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 37' ' ' VAL . 21.4 mt -90.93 137.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 18.5 tt0 -146.04 120.4 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 37' ' ' VAL . 58.9 t -92.76 136.98 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.79 128.39 3.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 50' ' ' TYR . . . -104.46 142.38 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . 6.1 p -173.58 164.37 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' OD1' ' A' ' 16' ' ' ASP . 51.1 p-10 -110.98 174.38 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -65.3 -32.39 74.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.06 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.96 162.73 13.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.8 m -96.56 158.69 15.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.452 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -125.21 155.72 18.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.64 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.5 Cg_endo -69.74 152.63 69.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.3 p -79.16 174.93 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.97 118.99 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.4 ttm -62.39 108.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.4 mt -101.79 145.59 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.45 137.23 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.89 153.45 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.78 106.4 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 84' ' ' ASP . 40.6 p -67.13 176.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -95.41 169.73 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -81.9 117.57 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.42 145.19 22.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.9 22.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -114.55 -32.14 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.31 141.43 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.89 148.84 55.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.09 177.42 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 52.53 39.19 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 14.0 t -71.32 159.1 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -125.96 152.66 18.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 106' ' ' ILE . 2.8 m -133.24 122.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -106.82 131.38 53.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.98 86.99 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.24 -54.23 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -154.46 -177.45 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 -39.32 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.0 p -120.47 41.39 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.83 118.24 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -138.71 130.38 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.511 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 44.1 t -96.56 148.46 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 25.9 t -128.76 98.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.511 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 8.4 m-70 -100.54 121.63 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.437 ' CD2' HG13 ' A' ' 91' ' ' VAL . 46.7 p90 -117.89 -175.09 2.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -107.74 131.17 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CD2' ' CD2' ' A' ' 74' ' ' TYR . 5.5 m170 -60.11 136.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -93.08 141.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -51.97 -22.9 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.4 107.52 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -87.11 5.57 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.6 pt -78.62 -25.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -51.74 133.28 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -85.74 -37.94 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.9 p -163.86 164.01 23.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.9 110.02 22.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -81.37 124.24 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.06 98.42 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.53 166.07 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.0 p90 -175.2 135.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.6 p90 -167.26 165.85 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -77.52 150.84 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.54 -34.28 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 8.7 p-80 -74.25 -38.97 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 28.3 m-20 -62.41 161.07 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -102.9 159.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -61.51 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.17 -33.34 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.55 13.61 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.48 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 36.9 m-80 -80.57 159.58 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -152.91 149.94 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.0 t -115.82 131.59 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.14 103.28 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.47 176.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.7 p -66.19 131.08 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -49.17 -26.61 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -66.75 -33.92 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.13 102.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CD2' ' CD2' ' A' ' 41' ' ' HIS . 13.0 m-85 -55.89 -26.07 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.0 p -139.94 170.08 16.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.35 -177.48 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.5 ttp-105 -137.14 143.19 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.5 mt -116.47 149.64 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.67 168.83 18.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 66.29 46.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -110.51 157.47 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.18 144.23 46.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.8 Cg_endo -69.74 152.22 69.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' PRO . 24.8 t70 35.76 51.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.9 m -132.26 138.93 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.59 130.79 42.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -135.44 114.82 12.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 72.4 m-85 -82.82 106.64 14.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.04 136.11 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.07 133.33 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.437 HG13 ' CD2' ' A' ' 39' ' ' TRP . 43.9 t -121.49 121.05 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.57 129.65 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 154.06 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.735 0.302 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.9 p -169.56 129.87 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.57 ' ND2' ' H ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -109.45 156.83 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -52.05 -25.71 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.37 -74.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.57 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . -120.97 149.86 17.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 159.72 18.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.84 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 160.47 49.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -75.94 -175.03 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -65.69 131.47 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.6 ttm -56.53 112.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 27' ' ' VAL . 24.2 mt -108.28 140.84 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.6 137.85 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.97 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.8 112.04 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -67.4 171.42 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -95.11 173.03 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.97 117.64 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.54 15.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.89 46.55 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -122.43 -27.91 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.84 146.15 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 148.96 37.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.56 -179.77 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.121 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 51.04 38.16 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 2.7 p -97.44 128.27 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -179.15 16.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.41 130.87 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -111.94 128.15 56.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.98 113.74 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.76 -60.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 m -133.62 176.41 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -58.79 -24.45 61.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -128.74 29.95 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.9 mt-10 -146.78 131.14 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 34' ' ' GLU . 53.4 mt -150.86 125.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -96.27 131.69 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.45 HG11 ' CG2' ' A' ' 91' ' ' VAL . 38.4 t -111.93 102.34 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -95.21 157.1 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.516 ' CD2' HG13 ' A' ' 91' ' ' VAL . 40.6 p90 -160.73 162.91 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -87.81 148.93 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 5.7 m170 -74.14 136.14 42.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -76.66 172.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.0 -24.19 30.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 -82.32 133.03 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -103.04 3.08 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 pt -76.59 -20.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -54.37 158.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.6 -43.21 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 m -167.63 162.87 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -98.68 110.12 22.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.52 101.41 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.41 95.36 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttm-85 -82.5 131.79 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -144.83 138.04 26.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -159.7 160.73 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -75.73 141.84 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 -39.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 13.3 p-80 -72.2 -44.99 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.573 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 78.6 m-20 -53.79 157.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -103.44 160.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.96 -32.91 64.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 18.1 pt-20 -64.27 -47.71 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -86.73 17.92 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.32 131.3 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -100.2 144.66 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' C ' ' NE ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.69 171.53 12.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -133.48 102.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -79.88 101.15 8.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.1 m -100.36 166.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -61.31 134.12 56.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -51.18 -26.46 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.0 -33.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.3 111.02 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.6 m-85 -68.27 -16.61 64.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 m -146.62 172.14 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.11 169.11 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -129.45 125.93 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.12 151.55 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -152.47 176.72 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 55.34 48.08 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.35 169.43 8.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.0 mt -93.96 143.71 26.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.37 60.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.8 t0 43.38 50.73 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 m -129.88 130.03 44.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -73.62 122.22 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -120.96 124.77 45.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.99 103.77 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 90' ' ' GLU . 23.8 mt -97.39 156.62 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 6.2 pt-20 -160.05 140.61 11.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 39' ' ' TRP . 97.4 t -128.73 107.01 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.56 122.42 3.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 125.34 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 t -151.32 134.9 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 12.3 p-10 -110.32 174.75 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t -69.47 -30.6 68.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.1 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.38 163.08 14.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.1 t -101.64 115.65 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.46 150.65 25.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 146.6 60.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.74 67.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.1 p -83.47 -176.72 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -54.59 116.57 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.1 ttm -58.49 103.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 25' ' ' VAL . 11.1 mt -98.95 139.6 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.22 148.72 32.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.2 152.34 48.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.99 103.51 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -66.36 170.26 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -90.93 170.2 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -82.72 129.7 35.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.76 141.62 39.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.52 35.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -124.47 -24.18 4.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -103.99 131.68 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.78 149.04 38.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.611 0.72 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 100.93 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.6 177.52 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 56.96 43.8 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.07 134.09 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.37 -170.93 12.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.87 123.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 17.7 tptt -98.62 146.81 25.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 84.9 t -105.51 94.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 76.6 mt -69.66 -54.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -157.51 -174.98 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -52.28 -43.94 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.453 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 47.3 m -117.82 39.9 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 33' ' ' SER . 45.3 mp0 -151.41 125.83 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 36' ' ' SER . 82.5 mt -150.0 134.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' N ' HG21 ' A' ' 35' ' ' ILE . 8.4 t -101.34 142.37 32.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 91' ' ' VAL . 60.5 t -117.39 97.22 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -92.25 142.04 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 50' ' ' TYR . 29.6 p90 -149.81 163.9 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -90.1 136.15 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -64.7 133.85 52.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.58 158.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.5 -26.28 66.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.55 98.99 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.14 0.04 29.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 HD11 ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -77.07 -16.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.54 147.78 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -84.35 -47.35 10.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -173.39 162.4 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 95.8 m-85 -91.92 107.49 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -78.56 118.31 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.43 95.86 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -86.79 124.76 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD1' HD21 ' A' ' 78' ' ' LEU . 22.7 p90 -140.77 136.19 32.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.4 p90 -160.03 158.85 31.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.553 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -64.77 145.97 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.58 17.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 16.1 p-80 -72.49 -41.25 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 168.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -115.09 168.77 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -28.63 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -68.29 -29.01 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.7 15.12 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.03 134.59 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -91.77 158.77 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -137.55 134.95 36.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.02 92.05 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.34 105.83 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.14 159.78 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -51.29 135.16 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -55.21 -20.24 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -68.66 -26.15 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.19 96.48 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -49.98 -27.01 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -142.74 170.21 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.75 171.1 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -126.78 143.18 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 54' ' ' TYR . 26.5 mt -116.52 145.53 43.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -141.56 162.97 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 69.06 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.32 144.16 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.15 143.97 96.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.73 154.49 67.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.7 t0 34.53 48.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -127.15 138.65 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.62 125.68 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.45 118.64 27.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -79.55 96.52 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 90' ' ' GLU . 36.3 mt -86.98 149.6 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' ' 89' ' ' ILE . 36.6 tt0 -158.99 126.66 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.452 ' CG2' HG13 ' A' ' 37' ' ' VAL . 76.1 t -114.65 127.42 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.73 120.75 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.79 122.29 25.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.6 t -153.76 140.22 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.44 ' ND2' HD11 ' A' ' 46' ' ' ILE . 35.3 p-10 -104.12 172.36 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.3 t -70.45 -28.18 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.7 -72.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.03 159.71 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.98 129.86 40.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.17 151.82 17.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.536 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.56 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.55 21.27 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.2 p -88.62 -174.75 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.67 143.34 57.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.5 ttm -74.73 109.64 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 11.0 mt -103.95 150.62 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -117.5 144.64 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.97 154.03 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -132.1 105.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.2 p -68.1 172.23 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -92.52 167.67 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -74.63 132.82 42.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.86 148.42 17.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.73 136.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -124.41 -21.0 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.88 139.15 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 148.99 35.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.79 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.47 174.9 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 56.44 39.23 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -95.56 116.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.65 168.15 23.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 89' ' ' ILE . 27.8 m -122.25 139.88 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -117.44 128.79 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.74 107.31 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.81 -49.07 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -152.96 176.76 11.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -54.29 -33.31 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -125.46 30.15 5.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -141.94 121.4 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.7 124.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -102.3 141.4 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 91' ' ' VAL . 26.0 t -120.03 113.13 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -100.98 150.95 22.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 p90 -157.18 160.76 39.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.09 131.86 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.431 ' CE1' ' O ' ' A' ' 71' ' ' SER . 9.9 m170 -55.33 129.63 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.87 143.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.86 -21.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' CB ' HG11 ' A' ' 47' ' ' VAL . 8.3 mm-40 -70.67 92.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -14.08 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 HD11 ' ND2' ' A' ' 95' ' ' ASN . 23.4 pt -75.53 -23.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 44' ' ' GLU . 18.6 m -51.11 114.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.89 -58.45 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' OE1' ' A' ' 68' ' ' GLN . 2.8 p -161.33 167.88 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . 59.7 m-85 -100.7 115.19 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -88.21 124.92 34.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.65 108.32 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -92.87 138.83 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.83 138.12 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -162.78 142.4 9.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.43 148.67 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.91 66.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 6.1 p-80 -75.55 -33.07 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.469 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 6.8 m-20 -66.06 169.45 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.58 161.04 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -65.34 -19.5 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -71.55 -35.36 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.46 16.69 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.97 133.64 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -88.74 154.32 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.08 146.68 41.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.17 124.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 68' ' ' GLN . 1.7 pp0? -100.87 167.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 68' ' ' GLN . 19.0 m -149.78 167.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -57.45 141.13 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 87.1 p -58.85 -13.24 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -86.7 -16.31 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.94 103.27 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.87 -4.74 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -155.92 158.18 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.01 171.86 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -128.21 141.04 51.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -116.38 145.42 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -145.42 165.02 29.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.57 42.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.58 176.32 5.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.2 mt -102.0 144.64 29.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 134.19 27.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 15.8 t0 52.17 48.53 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.6 m -126.55 138.98 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.48 121.88 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.3 106.35 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.451 ' CD1' HG11 ' A' ' 27' ' ' VAL . 17.2 mt -100.0 137.75 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' HG21 ' A' ' 89' ' ' ILE . 3.2 pt-20 -150.16 129.53 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.418 ' CG2' HG11 ' A' ' 37' ' ' VAL . 87.4 t -102.16 140.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.22 122.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.405 ' CB ' ' CD2' ' A' ' 50' ' ' TYR . . . -95.47 130.76 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.28 154.4 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 46' ' ' ILE . 43.5 p-10 -111.0 161.1 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -54.76 -16.0 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.43 -73.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.34 150.48 17.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 21.9 p -83.4 151.05 25.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -120.51 155.62 16.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.66 40.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.46 40.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -56.71 -178.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 144.2 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.97 105.47 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 107' ' ' GLU . 10.6 mt -105.36 140.08 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 106' ' ' ILE . 1.1 pm0 -109.15 134.98 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.25 153.19 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -129.97 110.5 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.9 p -70.14 162.52 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -82.24 170.74 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 113' ' ' ALA . 36.1 mttp -73.69 91.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.467 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -142.21 145.01 33.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.51 42.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 m -123.88 -17.77 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -103.93 146.23 28.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.46 146.3 34.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.49 3.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -97.37 172.58 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 62.62 37.96 12.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 p -96.62 121.53 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.39 163.91 21.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.14 120.87 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -98.43 139.06 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.53 105.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -78.45 -57.6 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -150.65 178.18 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.4 p -52.28 -31.48 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -126.13 34.55 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.416 ' C ' HG13 ' A' ' 35' ' ' ILE . 53.8 mm-40 -148.59 136.36 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 34' ' ' GLU . 44.0 mt -156.84 124.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -98.57 135.75 39.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 91' ' ' VAL . 26.2 t -115.96 110.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -103.76 142.48 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.439 ' CH2' HD13 ' A' ' 52' ' ' ILE . 42.8 p90 -144.25 169.41 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 5.7 tp10 -91.65 151.99 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.593 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 10.1 m170 -80.13 131.58 35.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.8 m -81.09 148.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.75 -14.36 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.65 4.04 50.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 8.6 pt -78.34 -24.1 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' ILE . 32.1 m -50.81 112.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 49' ' ' SER . 22.1 pt-20 -51.2 -49.03 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 85.7 p -169.91 171.43 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -104.27 109.08 20.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.85 119.03 29.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.439 HD13 ' CH2' ' A' ' 39' ' ' TRP . 5.3 mp -102.86 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 16.9 ttp-105 -88.76 130.31 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 67' ' ' VAL . 1.5 p90 -139.28 147.8 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.451 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 16.4 p90 -169.68 148.34 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 147.97 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.17 -29.95 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -80.73 -37.04 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.11 159.25 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -103.51 167.79 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.58 -26.15 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.76 -38.75 80.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.95 2.55 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.05 140.65 57.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -88.52 -177.26 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -164.91 122.63 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 54' ' ' TYR . 61.1 t -105.29 122.78 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 141.1 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.6 m -139.78 170.39 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -67.29 139.02 57.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.1 p -52.26 -18.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -75.05 -33.45 61.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.88 102.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 18.8 m-85 -62.24 -14.27 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.5 p -146.98 179.24 7.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.79 174.31 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -131.14 139.56 49.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -111.35 134.25 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -133.4 162.45 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.73 53.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -111.23 175.45 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.93 143.2 26.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 139.85 40.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.4 t0 46.89 54.9 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 87' ' ' TYR . 5.3 m -137.39 133.52 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.556 ' OE1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 tp60 -70.82 136.05 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' A' ' 85' ' ' THR . 13.2 m-85 -134.03 120.0 19.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.8 104.52 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 90' ' ' GLU . 13.1 mt -100.17 140.75 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 89' ' ' ILE . 4.9 tm-20 -144.35 130.33 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 37' ' ' VAL . 70.0 t -115.11 110.34 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.34 128.53 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.12 130.65 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.5 t -156.43 134.32 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.463 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 41.9 p-10 -104.9 150.84 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -51.17 -23.76 3.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.67 -74.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -110.6 163.66 12.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.57 144.75 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.45 149.61 19.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.6 33.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 160.33 50.11 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -72.44 -176.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.17 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 46.7 ttm -47.57 115.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.0 mt -110.19 144.18 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.456 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . 9.5 pt-20 -113.06 150.38 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -140.91 150.68 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 11.5 m-85 -122.92 111.29 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -61.3 168.97 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.17 179.68 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -93.45 127.65 39.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.095 179.805 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.452 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -158.01 144.11 12.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.21 17.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -113.3 -22.61 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -111.06 156.39 21.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.78 147.61 66.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.63 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.24 169.4 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 56.72 39.89 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 12.9 t -70.13 157.2 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -123.61 154.43 17.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -137.24 123.81 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -110.31 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.39 108.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.29 -49.5 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -149.0 177.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 p -56.87 -25.07 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m -131.73 35.25 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.65 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -143.32 128.49 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -94.7 143.62 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 91' ' ' VAL . 59.2 t -122.12 107.63 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.9 115.19 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.49 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.3 p90 -114.0 -176.31 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -105.9 125.02 50.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -57.29 131.83 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.54 135.78 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 44' ' ' GLU . 3.4 pp -47.34 -21.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' N ' HD11 ' A' ' 43' ' ' LEU . 17.9 mm-40 -70.74 106.61 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -90.24 8.98 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -91.76 -20.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -53.74 145.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.58 -51.55 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 p -157.29 -177.7 6.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.538 ' CE2' ' CB ' ' A' ' 93' ' ' ALA . 94.4 m-85 -117.21 109.5 16.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 66' ' ' ARG . 29.4 tt0 -82.84 108.04 15.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mp -89.96 98.51 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -87.07 132.27 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -144.22 131.84 21.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 p90 -148.95 136.26 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' CB ' ' NE2' ' A' ' 58' ' ' HIS . . . -64.15 143.42 57.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.22 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.46 ' NE2' ' CB ' ' A' ' 56' ' ' ALA . 7.8 p80 -63.22 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.65 172.51 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -111.57 150.9 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -33.52 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.64 13.31 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -72.3 120.01 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -73.62 173.74 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 1.3 ptp85 -158.8 134.69 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.61 127.26 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.39 120.74 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.39 144.71 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -41.42 139.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.7 t -57.33 -26.88 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.23 -17.77 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.03 110.16 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -65.79 -25.1 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 96.6 p -142.76 166.58 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.8 -177.4 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -136.36 133.8 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.4 mt -104.17 145.26 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.29 160.53 40.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 69.77 50.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.87 158.52 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.6 mt -84.41 143.22 41.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.699 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.39 54.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t70 44.73 50.98 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.9 m -132.47 119.68 20.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.32 129.9 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 18.1 m-85 -127.01 141.34 51.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -102.91 89.63 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 90' ' ' GLU . 11.9 mt -85.36 143.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.462 ' CG ' ' HA ' ' A' ' 105' ' ' MET . 22.2 mp0 -152.64 138.33 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.49 HG11 ' CG ' ' A' ' 39' ' ' TRP . 68.9 t -106.08 139.83 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.13 124.66 2.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.538 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -103.67 133.88 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.2 p -167.86 155.0 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 46' ' ' ILE . 49.8 p-10 -111.03 161.6 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 t -58.33 -15.12 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.59 -69.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.452 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -118.99 157.66 15.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.58 154.85 17.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -135.69 160.34 24.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.97 49.59 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.85 6.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -94.77 168.29 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.36 141.7 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.462 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 5.8 ttp -73.36 106.1 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.77 147.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -115.95 141.11 48.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.09 150.49 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.36 107.75 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.5 p -64.75 163.46 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -79.56 163.34 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -80.69 123.81 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.48 144.13 24.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.67 45.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -122.74 -17.56 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -102.03 146.76 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.45 149.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.67 174.07 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 58.61 36.81 25.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.43 126.93 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.26 164.48 23.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.3 m -125.31 127.35 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -107.33 125.69 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.57 119.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.22 -59.46 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 178.96 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -53.54 -39.12 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -119.16 37.08 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -149.64 128.35 12.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.9 mt -146.81 134.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -105.73 147.88 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 t -130.1 116.16 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -105.79 146.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -151.48 173.06 15.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -106.7 128.7 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 28.7 m170 -57.3 127.42 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.56 172.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.93 -19.44 37.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -73.74 113.9 11.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -86.73 5.13 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.2 pt -93.45 -15.66 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 15.7 m -56.53 117.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.67 -53.91 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.86 172.17 11.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 93' ' ' ALA . 80.2 m-85 -103.56 120.29 40.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -92.39 114.76 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -101.64 89.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -81.39 128.55 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 44.0 p90 -133.07 141.99 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 88' ' ' PHE . 8.5 p90 -162.86 137.96 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' CB ' ' NE2' ' A' ' 58' ' ' HIS . . . -60.21 141.72 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.33 -42.08 30.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.419 ' NE2' ' CB ' ' A' ' 56' ' ' ALA . 8.1 p80 -71.17 -20.36 62.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.46 162.83 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -96.5 152.1 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.52 -21.93 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -28.33 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.5 12.39 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -69.4 135.76 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 30.9 m120 -78.86 150.93 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -121.28 135.73 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.0 t -131.37 120.07 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -108.95 136.65 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' THR . 27.5 m -140.11 140.69 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' VAL . 80.5 p -36.16 137.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -56.72 -16.52 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.79 -25.45 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.49 116.55 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.0 m-85 -78.84 2.47 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.6 p -162.22 177.46 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.62 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -134.7 135.45 42.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 mt -115.01 150.15 36.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -146.1 173.43 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 62.9 47.08 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -110.5 149.06 30.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.32 144.57 74.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 144.86 55.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 14.8 t0 43.3 41.85 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 90.0 m -125.83 121.1 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 54.7 tt0 -57.52 133.01 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -130.98 116.63 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.513 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 43.4 m-85 -80.09 117.43 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 90' ' ' GLU . 26.1 mt -110.36 142.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 89' ' ' ILE . 10.2 mt-10 -134.48 119.28 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.01 110.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.36 131.09 4.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.559 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -76.11 156.5 33.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 22.9 p -173.47 141.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 35.7 p-10 -110.39 171.35 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -64.72 -37.06 86.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.457 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -55.71 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.76 163.13 13.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 72.5 m -98.09 130.63 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.66 156.5 20.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.16 39.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.23 68.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -77.01 -178.03 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.63 143.52 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 90' ' ' GLU . 7.2 tpt -74.76 98.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.6 mt -93.84 138.84 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.32 142.49 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.6 154.16 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 86' ' ' GLN . 6.8 m-85 -130.8 110.78 11.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -68.8 177.03 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.77 169.1 9.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -72.84 133.18 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.77 144.09 40.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 t -114.23 -0.41 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.416 ' CG ' ' HB ' ' A' ' 42' ' ' VAL . 1.4 pm0 -117.69 173.51 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.01 66.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.6 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.98 178.56 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 47.52 48.44 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.56 136.43 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.99 164.45 28.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 108' ' ' ALA . 18.2 m -126.84 124.01 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -101.64 125.47 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.11 117.83 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -92.91 -49.95 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 m -153.45 176.09 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.1 p -53.14 -31.08 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 33.25 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.4 mt-10 -147.51 133.55 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 81' ' ' LEU . 21.7 mt -156.86 129.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -99.47 138.83 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 HG13 ' CG2' ' A' ' 91' ' ' VAL . 40.1 t -112.62 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -94.01 143.64 26.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.97 170.66 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -102.08 137.34 40.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.532 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 8.3 m170 -57.85 139.49 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HB ' ' CG ' ' A' ' 20' ' ' GLU . 19.1 m -81.18 146.03 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 44' ' ' GLU . 3.0 pp -53.02 -22.22 5.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' HG2' ' CD1' ' A' ' 43' ' ' LEU . 4.8 mm-40 -92.27 126.37 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.6 9.6 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 47' ' ' VAL . 8.2 pt -78.46 -25.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 46' ' ' ILE . 22.6 m -51.3 160.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.66 -54.57 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -148.96 162.4 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.428 ' O ' ' CD1' ' A' ' 52' ' ' ILE . 79.4 m-85 -99.84 106.31 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -78.87 121.89 25.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 5.4 mp -111.9 97.78 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -88.05 117.86 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -126.92 147.98 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 14.5 p90 -167.58 150.85 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -63.94 144.47 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.85 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 11.2 p-80 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.492 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 53.4 m-20 -62.65 154.32 29.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.45 171.89 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.7 -10.98 59.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -83.29 -33.02 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.39 -1.53 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.01 134.23 53.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -81.23 -175.87 5.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -161.51 129.58 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.94 98.61 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -93.07 134.96 34.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.1 167.26 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -62.11 154.27 27.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 p -60.11 -26.48 66.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 116.83 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE2' ' CD2' ' A' ' 41' ' ' HIS . 17.1 m-85 -79.79 -18.09 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 p -141.17 163.87 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.86 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -127.63 139.28 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.69 137.91 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -139.49 161.81 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 70.93 42.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' CD1' HG13 ' A' ' 35' ' ' ILE . 5.0 mt -103.78 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.48 144.07 80.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.74 151.12 69.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.1 t0 36.85 49.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 m -136.36 131.18 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -70.12 143.74 52.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -136.36 114.91 11.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 41.7 m-85 -76.12 100.31 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.7 mt -93.81 139.32 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.79 119.28 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 ' CG2' HG13 ' A' ' 37' ' ' VAL . 49.5 t -109.71 117.71 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.24 122.04 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.03 137.59 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -167.14 139.25 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 24.5 p30 -102.45 174.46 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -67.63 -19.37 65.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . -71.51 -74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.64 160.98 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.4 148.08 23.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.8 163.73 13.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 153.24 69.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -75.41 176.32 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.05 156.31 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 44.7 ttm -79.7 96.2 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.2 mt -95.23 142.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.6 131.94 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . . . -112.35 150.68 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.52 114.93 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.0 p -74.51 162.91 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -87.61 172.12 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -74.8 130.76 40.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.25 145.8 16.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 147.07 62.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -121.92 -15.56 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.7 146.88 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.49 64.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.17 179.41 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 43.62 35.78 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.25 127.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.08 173.13 22.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.89 150.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -117.74 135.92 53.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -90.78 108.14 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.8 -64.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -146.66 -174.99 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.0 p -59.24 -29.62 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' HG3' ' A' ' 34' ' ' GLU . 16.4 m -126.47 28.05 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' HG3' ' C ' ' A' ' 33' ' ' SER . 30.2 mt-10 -143.84 136.82 27.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 36' ' ' SER . 75.5 mt -152.73 140.82 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.468 ' N ' HG22 ' A' ' 35' ' ' ILE . 3.6 m -108.95 154.37 22.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 91' ' ' VAL . 19.2 t -133.19 106.63 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -102.08 159.18 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.469 ' CD2' HG12 ' A' ' 91' ' ' VAL . 40.5 p90 -166.69 169.72 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -95.72 128.92 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -59.52 137.43 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.97 149.82 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.56 -24.43 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.49 125.7 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -99.48 -9.99 22.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 pt -93.43 25.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 12.2 m -91.75 112.48 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.93 -61.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -174.69 157.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -77.33 101.16 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -83.89 126.15 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.7 99.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -86.55 112.68 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.54 145.03 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -166.62 151.42 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 153.36 41.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.43 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.9 p-80 -65.23 -38.32 90.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.512 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 26.9 m-20 -54.56 167.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -114.37 154.53 27.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -50.94 -42.84 59.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.96 -33.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 17.83 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.68 122.03 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.59 154.3 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -130.17 129.0 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.73 131.32 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -111.22 129.91 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.58 144.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -40.05 138.05 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.5 p -51.82 -26.95 10.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.32 -40.49 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.51 92.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -53.17 -25.91 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -144.33 160.05 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.23 175.13 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -132.32 156.01 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.9 mt -129.81 140.11 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.9 173.18 11.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.06 53.57 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.13 148.77 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.49 143.52 90.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.5 57.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 38.98 53.49 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.3 m -131.97 129.12 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.77 128.58 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.8 104.7 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -69.4 120.76 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 22.6 mt -115.56 148.7 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.36 147.08 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 39' ' ' TRP . 36.9 t -139.15 105.64 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.21 121.06 3.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.0 118.32 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.6 m -150.96 145.98 25.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -109.58 168.93 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -68.65 -35.78 77.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.01 -70.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.9 161.81 13.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.38 102.7 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.08 169.93 42.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.43 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.89 23.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -82.94 -175.61 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.32 146.21 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.1 ttm -87.05 120.85 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 mp -112.49 141.45 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -103.72 132.09 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.45 153.89 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.55 106.66 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.7 p -69.65 165.02 22.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.78 169.78 14.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 126.6 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.823 0.345 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.0 145.81 16.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.698 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 134.24 27.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 p -116.38 -31.65 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -97.61 148.26 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 149.14 59.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 114.18 3.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -107.37 171.81 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 55.49 41.03 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 9.5 t -76.82 154.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -138.82 162.32 25.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -138.23 129.72 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -103.06 131.03 50.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -82.7 87.78 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -59.28 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -151.27 -179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -61.62 -27.47 68.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.48 28.63 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.413 ' C ' HG13 ' A' ' 35' ' ' ILE . 21.4 mt-10 -153.73 139.52 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 34' ' ' GLU . 84.1 mt -153.67 140.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -101.03 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 t -126.63 99.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -99.46 132.16 44.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.521 ' NE1' ' CD2' ' A' ' 50' ' ' TYR . 47.8 p90 -134.83 160.42 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.42 156.65 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 6.2 m170 -85.1 133.68 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -81.33 150.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.36 -11.05 5.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -96.25 104.97 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -85.18 4.78 32.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.22 -22.72 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 m -50.22 144.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -41.61 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -162.61 177.65 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 94.4 m-85 -112.98 108.7 17.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.56 117.74 20.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mp -106.61 118.6 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -104.26 112.09 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -121.29 135.84 55.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -166.56 156.55 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -74.27 154.8 38.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.09 -39.27 63.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.481 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 39.6 p-80 -70.69 -46.01 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 40.4 m-20 -55.01 157.73 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -100.51 165.95 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.87 -46.64 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 4.64 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.99 124.9 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -73.01 168.98 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -143.75 128.78 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -113.34 124.14 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -110.37 105.04 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -103.9 169.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -63.76 164.52 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.9 p -78.45 -12.54 60.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.49 -19.09 43.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -84.13 111.46 19.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 14.4 m-85 -70.87 -5.2 28.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 67.7 p -158.84 172.9 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.61 179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -134.27 131.18 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.76 150.18 24.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -141.68 168.21 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 62.19 51.84 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mt -108.15 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.8 mt -78.42 142.9 63.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.13 39.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 23.1 t70 50.49 47.45 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 86' ' ' GLN . 94.0 m -127.55 137.99 52.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.444 ' N ' HG21 ' A' ' 85' ' ' THR . 48.1 tt0 -77.74 116.7 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -114.22 125.11 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -88.63 107.22 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 90' ' ' GLU . 19.0 mt -100.01 136.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.437 ' N ' HG21 ' A' ' 89' ' ' ILE . 15.4 mt-10 -143.57 117.11 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.89 130.59 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.29 121.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -82.2 143.57 31.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 p -170.57 144.35 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -110.95 152.76 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -47.27 -22.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.04 -75.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.87 153.53 17.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.12 158.51 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 159.78 23.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.66 35.87 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.92 58.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.4 p -73.67 -174.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 156.09 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.0 ttm -82.91 107.98 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.54 148.48 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.29 137.0 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.41 153.27 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.79 109.97 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.2 p -75.94 152.42 37.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -71.12 173.59 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -80.35 91.55 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 t0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.55 142.88 15.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -97.95 -23.55 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.55 144.43 27.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 148.77 58.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 103.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.47 -179.22 4.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 46.64 41.07 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.9 t -80.01 160.44 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.546 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -141.12 173.86 23.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.03 140.89 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -109.43 138.11 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.55 84.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.9 -47.61 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -153.75 -179.0 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -61.15 -29.91 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -126.83 32.82 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -150.27 112.21 4.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.2 mt -134.65 127.92 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 17.4 t -90.1 137.17 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 31.2 t -115.3 104.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 3.6 m-70 -107.78 119.86 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.477 ' CE3' HG22 ' A' ' 91' ' ' VAL . 45.3 p90 -117.66 176.21 5.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.91 132.96 43.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 11.1 m170 -61.7 130.64 46.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.97 170.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 4.24 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -99.71 95.98 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -76.65 4.69 8.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 95' ' ' ASN . 2.4 pp -86.65 -18.06 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -51.68 139.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 49' ' ' SER . 3.1 pt-20 -89.79 -30.85 17.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 3.0 m -174.33 178.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -116.36 133.28 56.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -103.46 122.16 44.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.34 93.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -83.43 115.34 22.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -128.46 148.16 50.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -172.16 146.97 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 164.67 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.68 80.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 2.6 p-80 -63.56 -39.79 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 2.4 m-20 -54.42 170.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -119.46 167.15 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.86 -30.22 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 11.8 pt-20 -67.28 -32.99 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -102.41 15.92 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.28 131.79 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.73 -179.6 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -160.06 136.48 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.87 126.15 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.94 118.42 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.9 152.66 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.2 t -48.2 147.35 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -64.26 -23.91 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -69.84 -13.37 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.63 96.23 10.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 12.3 m-85 -53.77 -22.27 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.6 p -145.24 166.53 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.33 175.96 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.1 ttp-105 -125.87 132.08 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.6 mt -101.53 143.55 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -140.11 162.82 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 71.28 51.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -114.26 157.05 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.44 142.03 39.93 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.592 0.711 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 139.74 40.91 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.377 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' LYS . 32.7 t70 51.97 44.26 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.49 HG21 ' CE2' ' A' ' 87' ' ' TYR . 39.3 m -125.45 136.18 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.403 ' N ' HG23 ' A' ' 85' ' ' THR . 54.1 tt0 -76.27 125.01 28.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 85' ' ' THR . 12.2 m-85 -125.78 126.26 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -89.41 91.92 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -80.58 144.68 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 30.9 tt0 -150.0 125.29 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG2' ' CG1' ' A' ' 37' ' ' VAL . 69.7 t -104.04 118.13 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.29 120.57 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.02 152.94 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.6 t -152.54 134.1 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 96' ' ' SER . 7.8 t30 -100.85 138.61 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.6 t -42.83 -24.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ASN . . . -92.34 -71.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.99 164.08 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.07 155.54 23.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.63 171.15 13.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.22 59.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.41 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 54.6 Cg_endo -69.68 151.92 69.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.0 p -72.88 177.08 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.91 144.26 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.1 ttm -66.61 116.33 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 25' ' ' VAL . 19.9 mt -109.92 151.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.63 134.53 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.31 153.74 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.36 109.53 11.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 p -72.86 -178.47 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASP . 6.4 mmpt? -107.44 -178.32 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.28 131.93 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.809 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.06 138.31 12.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.9 Cg_endo -69.79 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -97.11 -35.13 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -92.76 146.9 23.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.18 148.53 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.75 -179.46 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 46.96 39.51 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.7 t -76.65 159.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.533 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -132.98 168.06 23.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.61 126.11 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 21.1 tptt -103.51 144.2 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 98.8 t -108.3 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.32 -48.04 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -150.21 -176.7 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -62.24 -34.07 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -118.1 26.59 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 81' ' ' LEU . 58.4 mt -139.79 124.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.12 149.36 21.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.44 107.9 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -105.67 116.56 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CD2' HG13 ' A' ' 91' ' ' VAL . 47.1 p90 -114.69 178.13 4.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -102.86 138.16 40.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.686 ' CG ' ' CE1' ' A' ' 74' ' ' TYR . 9.4 m170 -69.02 127.45 33.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -74.57 137.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 44' ' ' GLU . 1.1 pp -41.57 -33.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' HD11 ' A' ' 43' ' ' LEU . 15.4 mt-10 -85.51 126.02 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -103.26 8.17 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -76.79 -4.92 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 m -64.52 141.43 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.05 -54.05 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 p -168.32 156.41 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.3 m-85 -92.37 130.71 37.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -112.28 128.11 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 52' ' ' ILE . 4.8 mp -103.82 89.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 8.9 ttp-105 -75.67 118.71 18.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -129.95 145.14 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 13.4 p90 -164.45 148.34 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.71 150.51 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.2 -41.43 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.2 p-80 -73.6 -36.96 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 6.8 m-20 -54.49 162.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -106.74 165.0 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -61.72 -33.22 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -66.67 -44.99 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.45 9.03 16.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.17 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -79.49 177.42 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -162.52 133.39 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.41 125.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 50' ' ' TYR . 1.6 tp-100 -109.52 117.71 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.3 -179.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.2 p -68.31 141.72 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -56.48 -26.82 55.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.01 -26.36 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.12 100.55 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.686 ' CE1' ' CG ' ' A' ' 41' ' ' HIS . 15.0 m-85 -63.95 -17.15 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.8 p -143.01 164.38 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.77 158.45 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.17 136.31 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 mt -109.01 136.05 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 53.6 mt-10 -131.11 160.38 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 79' ' ' GLU . 2.1 m-80 74.96 48.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.412 HD12 ' CD1' ' A' ' 35' ' ' ILE . 27.3 mt -110.85 160.16 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -86.14 143.38 37.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.99 58.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.9 t70 40.53 52.42 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.563 HG21 ' CE2' ' A' ' 87' ' ' TYR . 15.6 m -133.62 129.94 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.65 129.65 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.563 ' CE2' HG21 ' A' ' 85' ' ' THR . 13.3 m-85 -129.17 126.1 38.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 47.1 m-85 -86.18 100.11 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 90' ' ' GLU . 49.9 mt -98.41 139.39 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 89' ' ' ILE . 6.1 tm-20 -145.37 124.6 12.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 39' ' ' TRP . 94.2 t -106.84 120.64 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.01 134.15 6.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -86.46 135.6 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.5 t -158.32 136.64 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 21.5 p30 -109.2 159.9 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -60.74 -13.23 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.51 -72.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.84 146.39 17.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.4 t -78.67 146.55 33.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.437 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -127.89 149.9 18.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 135.09 29.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 165.55 30.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.3 p -77.11 -178.88 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.46 134.08 55.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.9 113.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.9 mt -108.39 140.52 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.75 134.9 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -121.34 154.78 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -129.92 107.43 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.5 p -66.4 -177.29 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -108.72 167.06 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -68.62 136.03 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.813 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.85 143.13 15.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.42 23.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -116.45 -16.59 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -99.82 136.94 38.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 148.46 35.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -77.36 -179.35 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' THR . 2.4 pt-20 35.83 51.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.89 117.45 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.2 175.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.84 129.53 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -102.23 130.36 48.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t -81.67 126.88 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -98.36 -57.3 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -148.35 174.29 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -53.89 -31.05 48.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -121.53 28.63 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -146.4 140.4 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -155.2 135.6 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.5 m -110.89 138.26 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 91' ' ' VAL . 45.8 t -115.58 108.87 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -102.37 136.44 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.42 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 45.2 p90 -146.34 167.7 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 3.1 tp10 -88.51 144.39 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 6.9 m170 -80.88 129.38 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.71 142.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 44' ' ' GLU . 2.5 pp -52.98 -17.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' CG ' HD13 ' A' ' 43' ' ' LEU . 12.8 mt-10 -88.0 116.87 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.61 7.45 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.24 -16.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -56.36 135.02 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -71.07 -53.15 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -165.31 173.24 11.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -105.71 103.05 12.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -79.12 132.47 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.66 114.32 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.515 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.8 ttp180 -102.73 109.59 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE1' ' CB ' ' A' ' 65' ' ' ASN . 15.2 p90 -118.36 136.6 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CE3' ' HG2' ' A' ' 53' ' ' ARG . 33.0 p90 -157.81 146.77 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . . . -68.1 146.35 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.24 -44.85 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 35.1 p-80 -66.37 -47.58 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 6.0 m-20 -51.57 172.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -116.67 159.17 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -57.18 -25.28 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.11 -41.55 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.3 17.22 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.6 129.96 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.521 ' CB ' ' CE1' ' A' ' 54' ' ' TYR . 7.2 m-80 -67.07 145.83 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 24.0 mtm105 -117.83 124.61 48.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.26 106.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -99.33 141.91 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 m -125.26 179.8 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -76.28 160.25 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -78.47 -7.28 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.28 -1.6 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -103.62 105.55 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 10.1 m-85 -63.09 -9.58 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.42 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 5.7 p -153.67 156.86 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.98 -178.4 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 9.8 ttp-105 -137.41 144.16 42.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.9 mt -125.84 143.75 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -141.81 168.69 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.27 46.53 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.26 159.36 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.93 143.75 43.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.2 Cg_endo -69.72 154.55 67.76 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 1.4 p-10 37.6 47.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -129.32 140.79 51.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -81.75 142.41 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -141.21 122.85 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -85.69 102.68 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 90' ' ' GLU . 51.6 mt -92.96 134.55 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' HG21 ' A' ' 89' ' ' ILE . 10.7 tt0 -131.58 122.34 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.415 ' CG2' HG13 ' A' ' 37' ' ' VAL . 54.4 t -116.49 113.94 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.55 123.14 2.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.73 139.17 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 t -167.71 136.8 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -103.01 173.73 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -70.31 -24.28 62.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.74 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.03 151.36 17.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 90.3 m -83.5 122.76 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.84 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.94 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.21 54.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.3 p -70.52 -178.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.17 162.99 28.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttm -75.12 117.17 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -110.61 142.4 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -115.01 144.93 42.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.79 153.8 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.33 106.74 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.2 p -67.66 161.98 24.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -74.09 162.68 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -73.78 131.92 42.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.846 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.12 136.49 10.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.82 28.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -120.65 -22.47 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.413 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 19.0 tt0 -94.53 138.64 32.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.26 148.82 37.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -94.92 171.11 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 61.08 33.86 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.0 126.6 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.19 -177.85 15.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.72 125.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -113.66 125.52 54.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.38 122.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -92.35 -46.61 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.6 -178.05 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -59.76 -36.36 76.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.5 t -116.32 15.31 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -128.24 137.93 52.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -156.2 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 m -126.35 137.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -121.57 112.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -108.46 136.46 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.497 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.1 p90 -138.41 -178.37 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.01 132.0 53.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -62.17 136.51 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.83 169.47 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' CD2' ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -80.02 -9.49 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.8 mp0 -82.96 108.36 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -15.07 57.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 HD12 ' ND2' ' A' ' 95' ' ' ASN . 2.3 pp -75.86 -16.21 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 15.2 m -53.01 115.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.05 -51.78 65.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.33 179.71 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -111.78 104.16 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' CD ' ' O ' ' A' ' 92' ' ' GLY . 18.3 pm0 -80.14 144.68 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.82 89.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -75.15 126.19 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.88 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.2 p90 -156.74 146.55 20.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.468 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -61.11 146.46 47.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.71 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 9.1 p-80 -66.74 -41.23 88.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.482 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 2.6 m-20 -51.37 174.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.84 171.77 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.8 13.2 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -113.11 -30.45 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.44 17.25 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.82 132.87 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -80.47 -177.86 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -155.02 115.36 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -98.99 112.9 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -101.45 123.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -128.09 155.33 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -45.11 136.84 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -52.67 -35.23 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -54.99 -43.42 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.42 113.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.89 -12.62 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 p -148.53 165.57 30.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.87 172.3 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -132.18 150.43 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.2 mt -119.33 146.93 44.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -138.07 166.22 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 60.76 53.41 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.76 145.87 44.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.0 148.2 78.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 150.83 69.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 110' ' ' THR . 33.2 t70 41.44 54.25 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.6 m -129.23 123.49 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -69.15 117.29 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -119.97 118.89 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -79.71 102.0 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 90' ' ' GLU . 28.5 mt -94.58 136.7 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.453 ' N ' HG21 ' A' ' 89' ' ' ILE . 19.0 mp0 -141.0 123.59 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 39' ' ' TRP . 47.5 t -116.21 113.39 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' CD ' ' A' ' 51' ' ' GLN . . . -140.08 125.05 2.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.23 133.7 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 t -158.62 133.57 8.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.47 ' ND2' HD12 ' A' ' 46' ' ' ILE . 33.5 p-10 -108.22 150.86 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -47.85 -39.87 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.19 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.94 153.23 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.8 m -102.83 125.65 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.66 160.18 14.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.32 42.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.8 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -77.74 177.73 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.89 144.43 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.1 ttm -70.77 103.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -100.29 151.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 2.3 pm0 -125.46 136.28 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.93 154.14 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.24 102.68 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 84' ' ' ASP . 57.8 p -57.19 -175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -103.14 167.37 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -81.31 121.35 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.816 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -129.19 148.18 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 p -152.19 131.8 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.41 108.83 0.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -87.08 -59.73 2.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t 61.0 45.18 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 70.49 82.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -33.98 123.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.158 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.56 87.15 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -120.13 136.54 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -102.33 111.41 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -116.3 157.05 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -137.77 121.13 17.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -147.44 157.88 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -85.68 -42.96 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.7 p30 -144.37 172.45 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 143.66 12.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.436 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.73 135.56 30.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.605 2.203 . . . . 0.0 112.388 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 p -123.09 -20.2 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.21 143.37 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.66 148.85 37.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.89 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.47 176.3 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 54.93 41.47 31.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 p -91.43 129.31 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.37 147.99 19.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.407 ' CG1' HG23 ' A' ' 37' ' ' VAL . 2.1 m -112.31 137.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -114.0 127.36 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.49 101.2 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.3 mt -73.59 -59.33 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -137.83 179.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -53.58 -40.27 65.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 m -118.19 18.58 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 53.1 mt -152.74 141.82 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 t -108.41 140.31 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' CG2' ' A' ' 91' ' ' VAL . 36.0 t -120.87 107.79 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -101.8 160.82 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.445 ' CH2' HD11 ' A' ' 52' ' ' ILE . 32.9 p90 -167.77 159.93 12.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -89.96 129.98 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -58.46 127.56 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.9 m -67.14 154.65 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.45 -6.41 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.84 105.38 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -79.75 5.69 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 47' ' ' VAL . 7.1 pt -83.16 -23.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 46' ' ' ILE . 12.6 m -57.6 128.96 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.43 -49.58 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -157.44 -179.86 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' CE2' ' CB ' ' A' ' 93' ' ' ALA . 66.2 m-85 -116.28 124.44 50.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.38 114.44 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.445 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.2 mp -104.45 99.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 30.4 p90 -153.31 133.97 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -157.79 164.74 36.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . . . -75.97 157.57 32.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.24 -39.11 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.549 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 13.3 p-80 -72.72 -44.37 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -52.27 164.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -110.8 152.7 26.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -55.86 -27.74 53.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.22 -28.98 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.66 11.3 39.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.38 134.52 36.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.542 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 34.0 m-80 -58.4 174.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -141.63 129.98 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.9 t -122.49 102.17 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -98.8 108.95 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -112.62 150.89 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.7 p -45.28 136.32 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -13.14 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.2 -33.29 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.81 102.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.91 -18.44 13.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.9 p -146.17 170.12 17.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.08 178.65 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -134.63 140.59 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.0 mt -115.49 139.8 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -138.95 168.56 19.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.44 46.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.99 177.56 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.68 143.73 27.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.441 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 53.9 Cg_endo -69.78 145.67 57.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.3 t70 40.14 54.73 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.54 HG22 ' CE1' ' A' ' 87' ' ' TYR . 29.2 m -135.63 134.16 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -70.87 128.05 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.54 ' CE1' HG22 ' A' ' 85' ' ' THR . 15.2 m-85 -129.95 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.36 110.68 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.417 HG22 ' N ' ' A' ' 90' ' ' GLU . 21.0 mt -103.02 155.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 89' ' ' ILE . 31.6 tt0 -159.04 125.96 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.461 ' CG2' HG13 ' A' ' 37' ' ' VAL . 63.8 t -105.82 119.67 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.64 123.05 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.438 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -85.61 148.96 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 p -171.52 150.39 2.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -109.01 171.92 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -67.89 -12.43 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.01 -73.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.1 148.94 18.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.06 146.2 26.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.436 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -113.41 158.09 14.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.01 52.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.413 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 155.17 66.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 p -82.23 179.96 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.09 146.57 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.2 ttm -84.01 113.37 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -112.32 151.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -115.84 140.93 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.03 153.85 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.6 101.42 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.9 p -63.66 169.3 4.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -91.71 170.27 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -76.59 128.4 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . . . -76.69 121.4 23.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 t -94.24 161.15 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.67 -173.34 14.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' SER . 54.2 Cg_endo -69.66 -7.04 20.01 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' PRO . 58.6 m -36.97 110.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.2 t -93.53 -47.47 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -164.57 167.72 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -101.0 170.07 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 -54.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -39.11 146.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -142.18 108.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.26 57.23 3.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 p -39.19 122.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.25 110.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -41.95 135.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.8 pt -80.55 172.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -97.07 146.71 24.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 p -137.22 169.51 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.41 134.93 47.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 7.9 pt20 -56.08 -48.48 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 56.4 m-20 -165.31 -178.15 4.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -168.58 143.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.33 50.55 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -122.84 -22.19 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -99.88 143.13 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.76 148.79 36.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.67 178.34 6.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 56.38 40.92 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -95.7 130.25 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.87 24.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.09 134.31 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -114.16 127.84 56.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 101.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.03 -61.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -146.18 177.98 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 p -57.78 -26.4 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.2 p -128.07 28.77 5.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -148.34 136.83 21.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.444 HG21 ' N ' ' A' ' 36' ' ' SER . 58.7 mt -152.12 144.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' HG21 ' A' ' 35' ' ' ILE . 32.1 t -112.17 130.39 55.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 45.0 t -113.59 103.27 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -98.69 143.68 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.559 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 42.0 p90 -150.61 164.57 35.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.79 143.09 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.482 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 11.5 m170 -72.58 133.26 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -86.18 143.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.0 -16.28 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.14 123.5 20.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -102.06 1.7 36.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 pt -95.86 -22.06 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 28.2 m -44.03 113.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -58.47 -48.49 80.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 p -171.05 -179.74 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -113.51 120.5 41.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -97.76 109.02 21.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.39 84.37 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.11 118.72 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -136.27 138.14 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.0 p90 -165.95 153.31 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 154.11 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.71 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.3 p-80 -62.75 -39.76 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.531 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -57.66 164.14 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -104.43 168.25 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.99 -19.6 64.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -80.87 -30.55 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.14 16.59 22.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.92 136.65 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -106.81 153.46 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.544 ' H ' ' NE ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -135.57 158.63 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.4 t -122.22 102.28 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.68 129.96 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.5 177.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -63.33 135.26 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.5 m -54.31 -25.01 21.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.89 -32.82 74.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.31 111.02 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 21.4 m-85 -74.18 -3.41 29.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.559 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 80.6 p -162.08 169.96 20.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.33 173.73 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -137.36 129.53 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.9 mt -103.72 151.37 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 -178.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.25 45.96 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.3 mt -101.22 144.38 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.4 143.5 93.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.9 Cg_endo -69.75 152.02 69.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.346 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' PRO . 22.7 t70 35.34 53.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.551 HG21 ' CE2' ' A' ' 87' ' ' TYR . 94.0 m -128.0 132.76 49.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -76.75 109.55 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.551 ' CE2' HG21 ' A' ' 85' ' ' THR . 13.2 m-85 -111.56 121.17 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 54.2 m-85 -83.25 106.24 14.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 90' ' ' GLU . 21.5 mt -100.27 140.19 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.419 ' N ' HG22 ' A' ' 89' ' ' ILE . 25.5 mt-10 -140.5 125.08 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.509 HG11 ' CG ' ' A' ' 39' ' ' TRP . 73.1 t -107.59 98.33 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -128.38 130.42 6.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.52 149.19 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.4 t -172.2 139.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -109.39 172.6 6.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -70.75 -30.49 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.93 162.73 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.49 127.47 49.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.3 153.26 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.56 45.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.23 46.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.62 2.213 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -80.59 176.22 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.6 137.06 54.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 31.4 ttm -63.08 113.07 2.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 32.1 mt -105.33 137.7 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 1.0 OUTLIER -112.67 142.17 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.45 154.83 46.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -132.38 108.5 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 p -69.46 166.05 19.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -83.13 171.88 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.69 125.67 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.51 -59.83 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -109.4 165.05 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.09 -175.6 15.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.78 24.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 m -66.65 -58.29 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -86.76 17.1 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -146.02 123.8 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -121.75 167.75 12.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.11 131.05 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -110.21 -37.67 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m 57.62 42.84 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.59 68.13 0.28 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.81 125.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.26 123.89 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.6 147.85 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -55.16 116.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -53.02 -48.76 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -82.44 100.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.86 147.1 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -88.41 -30.67 19.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -171.7 -175.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.02 143.15 10.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.531 0.682 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 135.29 30.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 t -125.12 -14.27 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -112.04 140.09 47.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.03 147.97 35.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.07 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.34 175.97 8.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 56.33 49.38 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -99.91 154.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.94 -178.55 29.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 89' ' ' ILE . 31.6 m -140.81 120.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -99.41 135.99 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.13 102.44 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -77.1 -54.35 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.2 m -145.82 172.58 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -53.01 -24.59 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.2 27.93 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.93 123.39 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.6 mt -143.28 126.84 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.0 t -94.22 138.54 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 91.8 t -116.73 107.65 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -105.43 138.6 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.518 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 48.5 p90 -142.84 166.48 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.86 138.03 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 7.3 m170 -67.47 131.51 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.55 140.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.2 -18.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.81 100.47 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -80.19 4.82 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.3 pt -77.97 -16.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 m -62.89 126.85 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.19 -41.76 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 p -165.67 174.47 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -111.41 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -92.55 115.48 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 93.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -82.75 148.29 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CE1' ' CB ' ' A' ' 65' ' ' ASN . 29.6 p90 -155.67 134.17 11.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 11.1 p90 -162.53 163.7 27.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.534 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -73.8 146.34 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.49 -49.47 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 21.5 p-80 -60.62 -43.33 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 5.8 m-20 -57.84 173.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -115.3 150.63 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -54.07 -39.73 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 6.3 pt-20 -55.1 -45.96 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.44 14.13 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.57 128.27 33.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.429 ' CB ' ' CE1' ' A' ' 54' ' ' TYR . 11.5 m-80 -53.02 149.0 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.454 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 18.9 mtm105 -120.45 123.99 44.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.55 112.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.36 121.53 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 31.7 m -117.77 160.91 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -53.65 138.11 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -56.01 -17.15 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -79.23 -30.73 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.24 105.45 2.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.7 m-85 -65.28 -18.08 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.518 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 24.9 p -146.95 160.3 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.54 -175.83 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -140.5 127.42 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.36 143.38 32.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.14 173.62 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 60.24 47.63 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.9 171.07 7.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.4 143.49 26.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 148.78 65.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 38.97 50.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.2 m -129.72 123.78 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.82 126.53 47.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 33.1 m-85 -90.15 102.77 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' CD1' HG11 ' A' ' 27' ' ' VAL . 17.9 mt -97.16 147.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' N ' HG21 ' A' ' 89' ' ' ILE . 7.1 tm-20 -148.78 126.74 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.563 ' CG2' ' CG1' ' A' ' 37' ' ' VAL . 42.5 t -106.57 116.32 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.06 131.43 4.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -88.71 154.24 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.1 p -173.07 145.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 8.4 p-10 -109.89 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -72.04 -10.58 59.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.74 -71.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.88 158.57 14.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.65 132.38 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.95 152.19 17.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.23 47.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.47 60.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -79.31 -175.91 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.86 127.55 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 ttm -60.3 115.56 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 18.9 mt -109.76 150.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -118.62 145.91 45.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -131.89 154.06 49.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -128.52 117.31 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.1 p -74.7 175.6 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -91.78 168.35 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.61 115.61 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.51 120.62 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -159.23 119.97 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.34 -157.9 24.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 89.08 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.5 m -80.02 102.23 9.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.1 p -133.53 134.08 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -72.79 111.29 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -61.07 -58.08 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.92 107.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -164.3 166.79 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -163.22 154.9 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.26 -162.25 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.83 126.46 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.89 165.64 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -166.25 137.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -95.31 92.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -39.48 133.57 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -160.04 171.12 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.93 140.83 48.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.07 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -56.83 -53.5 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -160.42 -176.77 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.16 148.42 14.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 54.4 Cg_endo -69.71 138.52 38.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -127.02 -36.72 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -94.08 146.04 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 144.54 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.63 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -79.91 -179.24 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 53.36 40.07 30.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 4.6 p -94.83 106.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.189 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.36 176.45 18.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.98 122.57 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.171 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -108.34 134.13 51.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.91 113.91 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 46.3 mt -83.49 -44.22 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 m -163.32 -179.63 6.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.1 p -49.54 -40.22 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -123.03 41.37 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -152.91 122.78 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.8 mt -145.99 126.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -100.46 132.95 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG11 ' CG2' ' A' ' 91' ' ' VAL . 46.9 t -113.57 109.13 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -97.57 151.85 19.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -155.77 161.89 40.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -88.57 153.84 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.606 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.2 m170 -80.26 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.67 169.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.39 -27.44 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -88.49 115.34 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.89 6.69 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.485 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -77.06 -20.53 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.9 m -53.54 139.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.65 -50.55 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -167.61 174.12 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 76.9 m-85 -103.22 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -105.32 114.26 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -104.1 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.418 ' CE2' HD21 ' A' ' 81' ' ' LEU . 11.2 p90 -131.68 138.03 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -157.34 151.84 25.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.421 ' HB1' ' CE1' ' A' ' 58' ' ' HIS . . . -69.91 141.03 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.52 -28.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.8 p-80 -78.94 -32.94 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 9.4 t0 -68.77 173.5 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -108.71 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.33 -18.41 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.65 -19.38 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.414 ' HB3' ' CG ' ' A' ' 59' ' ' ASP . . . -100.84 12.46 37.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.67 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.53 158.33 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.92 130.66 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.42 102.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -97.62 126.93 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.2 175.28 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 p -67.13 136.52 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.3 p -53.79 -17.1 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.77 -32.33 52.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.92 99.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 14.0 m-85 -61.27 -13.54 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 p -150.08 163.2 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.25 176.24 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.11 138.7 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.0 142.16 46.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -140.06 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 64.27 33.7 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 54' ' ' TYR . 3.9 mt -97.33 151.24 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.52 145.52 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.53 65.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 39.82 48.93 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.8 m -132.02 126.49 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -58.53 142.62 48.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -145.83 118.97 8.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.51 109.81 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.1 mt -103.96 146.97 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -151.38 133.53 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.428 ' CG2' HG11 ' A' ' 37' ' ' VAL . 32.4 t -113.41 138.6 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.5 128.71 3.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.29 133.7 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.9 p -167.44 158.19 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.485 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 34.6 p30 -110.8 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -67.16 -25.78 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 -70.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.29 159.95 13.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.79 152.88 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -124.97 161.15 19.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.14 39.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.16 69.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.1 p -73.29 166.24 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.56 148.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.2 ttm -74.41 117.11 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.456 ' CD1' ' O ' ' A' ' 25' ' ' VAL . 11.0 mt -106.75 140.57 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 106' ' ' ILE . 2.1 pp20? -114.25 138.83 49.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.27 157.6 39.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -134.91 101.33 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.4 p -57.33 173.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -96.23 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -79.16 134.47 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.64 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.4 p -49.55 177.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.26 -178.24 21.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -64.38 148.93 49.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -54.62 -44.85 73.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -135.12 140.52 45.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -94.89 129.24 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.11 74.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -164.22 136.61 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -138.21 175.55 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.92 -66.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -61.16 124.3 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.54 130.31 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -78.11 127.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -119.84 110.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -48.48 128.89 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -114.89 169.62 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.87 154.73 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.73 -48.24 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -156.32 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -165.05 145.98 6.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.459 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.3 Cg_endo -69.75 132.25 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.283 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -124.63 -1.09 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -122.8 145.34 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 146.89 35.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -92.6 171.82 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 57.06 41.59 27.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.485 ' CG1' ' OD1' ' A' ' 104' ' ' ASP . 14.2 p -95.22 125.23 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.74 -179.67 16.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 ' CD1' ' A' ' 89' ' ' ILE . 31.6 m -137.17 119.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -104.09 125.63 50.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.7 t -84.33 129.19 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.54 -46.24 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -147.45 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -71.27 -18.3 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -133.62 33.3 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -153.04 127.62 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -143.82 125.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -97.26 145.91 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 91' ' ' VAL . 30.4 t -126.98 132.75 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -119.48 148.95 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 46.6 p90 -159.12 161.11 36.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -93.18 143.28 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.505 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 23.5 m170 -67.27 130.33 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -71.32 160.14 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -87.04 113.09 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 2.35 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 pt -77.15 -23.92 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.3 m -55.21 125.13 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -77.22 -42.87 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -165.19 164.07 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CE2' ' HB3' ' A' ' 93' ' ' ALA . 2.5 m-85 -103.08 139.51 38.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -108.0 128.32 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.7 mp -109.64 91.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm105 -74.92 117.12 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.429 ' CB ' HD13 ' A' ' 78' ' ' LEU . 22.7 p90 -125.76 137.45 53.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -169.31 136.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 155.11 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.77 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 3.5 p-80 -61.47 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.602 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 4.3 m-20 -52.89 173.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -122.65 153.81 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.76 -34.12 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.427 ' OE2' ' CB ' ' A' ' 63' ' ' ALA . 3.1 pp20? -61.63 -40.16 93.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . . . -94.54 14.23 21.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.97 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.23 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -137.56 137.07 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.94 101.55 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.88 129.01 35.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.02 155.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.424 HG23 ' CG ' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -50.3 146.17 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -67.89 -3.08 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -89.11 -8.91 52.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.424 ' CG ' HG23 ' A' ' 70' ' ' THR . 6.4 mm-40 -91.15 116.45 28.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 20.0 m-85 -80.35 7.88 8.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.538 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.7 p -164.77 177.82 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.56 -175.6 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -147.78 145.8 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 54' ' ' TYR . 75.5 mt -120.13 153.34 36.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -144.58 174.18 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 56.5 51.09 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.477 HD22 ' CE2' ' A' ' 87' ' ' TYR . 32.4 mt -110.46 159.18 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.7 mt -83.35 141.64 42.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 12.2 t0 52.48 50.42 18.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 92.1 m -137.44 132.53 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -73.32 120.76 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.477 ' CE2' HD22 ' A' ' 81' ' ' LEU . 16.7 m-85 -114.18 107.48 15.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -67.04 115.73 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.455 HG21 ' N ' ' A' ' 90' ' ' GLU . 27.3 mt -113.0 141.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' N ' HG21 ' A' ' 89' ' ' ILE . 21.7 mt-10 -147.65 118.56 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.417 ' CG2' HG12 ' A' ' 37' ' ' VAL . 85.6 t -94.85 120.05 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.61 120.96 2.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -86.97 136.8 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 p -166.45 159.2 14.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -111.01 167.55 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 t -59.49 -25.89 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.3 157.71 15.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.6 p -101.26 153.94 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.459 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -121.1 162.71 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.521 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.5 54.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 158.89 55.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.0 p -83.69 174.31 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD1' ' CG1' ' A' ' 25' ' ' VAL . 7.2 p-10 -47.36 128.92 12.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.1 ttm -62.84 108.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 25' ' ' VAL . 11.2 mt -105.99 146.3 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.85 127.53 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.406 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . . . -110.14 148.9 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -117.05 128.05 54.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.6 p -89.9 167.78 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -82.66 169.87 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 113' ' ' ALA . 4.1 mmmm -87.26 99.31 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . -35.37 140.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.7 p -172.82 151.13 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.85 154.13 8.19 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -24.43 29.96 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t -84.07 -48.75 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -118.17 156.2 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -128.38 147.67 50.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.815 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -119.39 143.39 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.94 164.31 13.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -83.53 91.87 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -74.83 118.05 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.38 148.99 20.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.22 128.93 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.97 116.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.31 128.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 pt -63.95 -23.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -113.56 129.52 56.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -105.94 175.57 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.63 144.06 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.96 -53.99 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.46 ' OD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 p30 -131.8 177.12 7.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.61 148.92 10.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.55 0.691 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.469 ' HG3' ' CB ' ' A' ' 94' ' ' CYS . 53.9 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.6 p -117.67 -40.26 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 10.3 tt0 -92.4 151.71 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -112.13 149.0 40.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.24 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 58.56 26.79 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 p -77.0 147.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.55 174.26 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.433 HG12 ' CG1' ' A' ' 37' ' ' VAL . 33.3 m -147.4 132.97 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' HE2' ' CD2' ' A' ' 30' ' ' LEU . 3.8 ptmt -111.34 160.57 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.79 90.18 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.459 ' CD2' ' HE2' ' A' ' 28' ' ' LYS . 38.2 mt -67.69 -46.53 72.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -146.78 -176.33 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -72.55 -12.57 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 t -125.84 -23.75 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 19.1 mt-10 -96.41 146.64 24.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.49 ' CG1' ' O ' ' A' ' 34' ' ' GLU . 35.8 mt -160.33 128.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.456 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 5.5 t -102.48 144.46 30.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 HG12 ' CG2' ' A' ' 91' ' ' VAL . 51.0 t -131.48 109.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -99.33 140.23 33.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CH2' ' C ' ' A' ' 75' ' ' SER . 49.6 p90 -138.98 176.93 8.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.12 130.98 54.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 71' ' ' SER . 4.5 m170 -58.79 136.47 57.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.7 m -79.01 138.92 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 44' ' ' GLU . 3.6 pp -44.68 -24.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' N ' HD13 ' A' ' 43' ' ' LEU . 8.4 mt-10 -90.6 109.63 20.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -87.03 10.13 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.4 pt -75.9 -21.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.44 148.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.6 pt-20 -89.64 -38.02 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 t -170.53 159.72 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 88.4 m-85 -96.47 111.69 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.26 139.32 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 3.4 mp -122.39 90.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 52.2 ttm-85 -73.38 123.77 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.426 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 10.4 p90 -135.07 141.8 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.476 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 21.7 p90 -171.45 151.32 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 148.23 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.51 -50.7 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -62.53 -40.79 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -53.06 159.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -105.13 157.73 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -54.11 -36.11 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.79 -23.16 66.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.78 9.22 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.3 129.22 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.426 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 5.6 m120 -98.56 137.25 37.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -110.69 124.14 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.31 114.12 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.31 151.84 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' THR . 19.2 m -136.48 148.07 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' VAL . 24.9 p -34.29 146.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 61.2 p -62.84 -26.15 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.83 -25.58 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -77.96 118.61 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 11.1 m-85 -87.87 18.98 3.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.589 ' C ' ' CH2' ' A' ' 39' ' ' TRP . 24.4 p -165.37 178.58 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.38 176.47 8.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -148.14 127.25 12.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.0 mt -106.75 146.66 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.64 159.59 41.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 64.5 54.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.58 165.54 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.61 140.71 29.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.39 65.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 13.6 t70 43.65 49.04 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.4 m -126.16 126.01 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -68.95 106.27 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -105.62 122.03 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.91 96.78 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.435 ' CG2' HG21 ' A' ' 37' ' ' VAL . 21.4 mt -90.93 137.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 18.5 tt0 -146.04 120.4 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 ' CG2' HG12 ' A' ' 37' ' ' VAL . 58.9 t -92.76 136.98 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.79 128.39 3.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 50' ' ' TYR . . . -104.46 142.38 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . 6.1 p -173.58 164.37 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' OD1' ' A' ' 16' ' ' ASP . 51.1 p-10 -110.98 174.38 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -65.3 -32.39 74.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.06 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.96 162.73 13.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.8 m -96.56 158.69 15.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.452 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -125.21 155.72 18.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.64 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.5 Cg_endo -69.74 152.63 69.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.3 p -79.16 174.93 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.97 118.99 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.4 ttm -62.39 108.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.4 mt -101.79 145.59 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.165 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.45 137.23 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.89 153.45 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.78 106.4 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 84' ' ' ASP . 40.6 p -67.13 176.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -95.41 169.73 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -81.9 117.57 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.75 115.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.4 t -81.24 132.78 35.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.72 -166.27 41.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.39 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.357 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -94.83 160.47 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.1 p -127.02 156.76 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -123.87 145.76 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -140.9 158.75 43.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 118.49 6.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 97.2 p -71.66 110.93 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.8 t 36.7 44.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.32 51.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -122.28 128.94 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.23 139.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -103.76 164.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 pt -94.78 27.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -142.51 114.85 8.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.0 p -64.54 153.72 38.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.29 170.23 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -124.75 -44.6 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -155.63 -176.05 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.42 145.19 22.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.9 22.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -114.55 -32.14 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.31 141.43 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.89 148.84 55.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.09 177.42 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 52.53 39.19 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 14.0 t -71.32 159.1 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -125.96 152.66 18.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.453 HG22 ' CG2' ' A' ' 106' ' ' ILE . 2.8 m -133.24 122.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -106.82 131.38 53.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.98 86.99 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.24 -54.23 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -154.46 -177.45 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 -39.32 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.0 p -120.47 41.39 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.83 118.24 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 78.9 mt -138.71 130.38 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.511 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 44.1 t -96.56 148.46 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 25.9 t -128.76 98.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.511 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 8.4 m-70 -100.54 121.63 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.437 ' CD2' HG13 ' A' ' 91' ' ' VAL . 46.7 p90 -117.89 -175.09 2.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -107.74 131.17 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CD2' ' CD2' ' A' ' 74' ' ' TYR . 5.5 m170 -60.11 136.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -93.08 141.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -51.97 -22.9 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.4 107.52 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -87.11 5.57 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.6 pt -78.62 -25.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.2 m -51.74 133.28 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -85.74 -37.94 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.9 p -163.86 164.01 23.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -105.9 110.02 22.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -81.37 124.24 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.06 98.42 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.53 166.07 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.0 p90 -175.2 135.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.6 p90 -167.26 165.85 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -77.52 150.84 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.54 -34.28 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 8.7 p-80 -74.25 -38.97 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 28.3 m-20 -62.41 161.07 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -102.9 159.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -61.51 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.17 -33.34 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.55 13.61 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.48 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 36.9 m-80 -80.57 159.58 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -152.91 149.94 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.0 t -115.82 131.59 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.14 103.28 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.47 176.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.7 p -66.19 131.08 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -49.17 -26.61 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -66.75 -33.92 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.13 102.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CD2' ' CD2' ' A' ' 41' ' ' HIS . 13.0 m-85 -55.89 -26.07 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.0 p -139.94 170.08 16.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.35 -177.48 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.5 ttp-105 -137.14 143.19 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.5 mt -116.47 149.64 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.67 168.83 18.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 66.29 46.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.3 mt -110.51 157.47 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.18 144.23 46.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.8 Cg_endo -69.74 152.22 69.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' PRO . 24.8 t70 35.76 51.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.9 m -132.26 138.93 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.59 130.79 42.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -135.44 114.82 12.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 72.4 m-85 -82.82 106.64 14.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.8 mt -98.04 136.11 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.07 133.33 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.437 HG13 ' CD2' ' A' ' 39' ' ' TRP . 43.9 t -121.49 121.05 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.57 129.65 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -73.58 154.06 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.735 0.302 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.9 p -169.56 129.87 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.57 ' ND2' ' H ' ' A' ' 98' ' ' GLY . 0.9 OUTLIER -109.45 156.83 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -52.05 -25.71 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.37 -74.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.57 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . -120.97 149.86 17.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 159.72 18.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.84 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 160.47 49.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -75.94 -175.03 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -65.69 131.47 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.6 ttm -56.53 112.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.453 ' CG2' HG22 ' A' ' 27' ' ' VAL . 24.2 mt -108.28 140.84 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.6 137.85 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.97 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.8 112.04 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.3 p -67.4 171.42 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -95.11 173.03 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.97 117.64 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.76 93.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -162.59 145.0 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.88 175.88 22.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.63 26.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.661 2.24 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.2 p -62.42 101.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -96.62 153.79 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.424 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -159.83 122.21 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -128.28 153.79 46.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.05 147.83 17.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -105.53 146.07 30.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -105.35 42.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.44 82.45 0.13 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.55 128.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.58 25.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.27 153.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -120.38 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.3 134.74 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -97.68 98.24 9.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.56 140.46 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -80.84 -36.14 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -173.2 172.31 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.77 143.54 15.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.89 46.55 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -122.43 -27.91 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.84 146.15 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 148.96 37.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.56 -179.77 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.121 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 51.04 38.16 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 ' O ' ' CD1' ' A' ' 106' ' ' ILE . 2.7 p -97.44 128.27 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -179.15 16.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.41 130.87 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -111.94 128.15 56.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.98 113.74 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.76 -60.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 m -133.62 176.41 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -58.79 -24.45 61.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -128.74 29.95 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.9 mt-10 -146.78 131.14 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 34' ' ' GLU . 53.4 mt -150.86 125.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -96.27 131.69 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.45 HG11 ' CG2' ' A' ' 91' ' ' VAL . 38.4 t -111.93 102.34 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -95.21 157.1 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.516 ' CD2' HG13 ' A' ' 91' ' ' VAL . 40.6 p90 -160.73 162.91 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -87.81 148.93 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 5.7 m170 -74.14 136.14 42.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -76.66 172.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.0 -24.19 30.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.1 pm0 -82.32 133.03 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -103.04 3.08 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 pt -76.59 -20.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -54.37 158.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.6 -43.21 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 m -167.63 162.87 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -98.68 110.12 22.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.52 101.41 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.41 95.36 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttm-85 -82.5 131.79 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -144.83 138.04 26.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -159.7 160.73 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -75.73 141.84 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 -39.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 13.3 p-80 -72.2 -44.99 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.573 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 78.6 m-20 -53.79 157.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -103.44 160.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.96 -32.91 64.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 18.1 pt-20 -64.27 -47.71 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -86.73 17.92 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.32 131.3 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -100.2 144.66 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' C ' ' NE ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.69 171.53 12.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -133.48 102.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -79.88 101.15 8.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.1 m -100.36 166.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -61.31 134.12 56.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -51.18 -26.46 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.0 -33.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.3 111.02 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.6 m-85 -68.27 -16.61 64.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 m -146.62 172.14 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.11 169.11 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -129.45 125.93 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.12 151.55 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -152.47 176.72 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 55.34 48.08 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.7 mt -107.35 169.43 8.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.0 mt -93.96 143.71 26.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.37 60.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.8 t0 43.38 50.73 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 m -129.88 130.03 44.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -73.62 122.22 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -120.96 124.77 45.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.99 103.77 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.421 ' CG2' ' N ' ' A' ' 90' ' ' GLU . 23.8 mt -97.39 156.62 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 6.2 pt-20 -160.05 140.61 11.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 39' ' ' TRP . 97.4 t -128.73 107.01 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.56 122.42 3.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.18 125.34 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 t -151.32 134.9 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 12.3 p-10 -110.32 174.75 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t -69.47 -30.6 68.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.1 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.38 163.08 14.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.1 t -101.64 115.65 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.46 150.65 25.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 146.6 60.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.74 67.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.1 p -83.47 -176.72 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -54.59 116.57 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.1 ttm -58.49 103.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 25' ' ' VAL . 11.1 mt -98.95 139.6 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.22 148.72 32.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.2 152.34 48.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.99 103.51 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -66.36 170.26 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -90.93 170.2 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -82.72 129.7 35.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.78 128.83 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -115.54 153.36 31.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.61 143.22 13.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.85 7.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.9 p -107.42 96.43 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 p -110.28 159.64 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -133.33 121.96 23.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -67.73 162.47 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.3 -137.95 5.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 m 45.73 42.63 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.817 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -74.65 157.91 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.78 80.08 1.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.1 t -78.96 117.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.91 117.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.5 t -150.93 139.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 mt -56.24 134.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -68.23 -58.74 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m 59.98 44.87 12.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.59 129.07 40.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -57.28 -53.75 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 4.0 m-20 -161.36 160.22 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.76 141.62 39.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.52 35.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -124.47 -24.18 4.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -103.99 131.68 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.78 149.04 38.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.611 0.72 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 100.93 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -84.6 177.52 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 56.96 43.8 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.07 134.09 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.37 -170.93 12.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.4 m -148.87 123.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.104 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 17.7 tptt -98.62 146.81 25.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 84.9 t -105.51 94.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 76.6 mt -69.66 -54.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -157.51 -174.98 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -52.28 -43.94 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.453 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 47.3 m -117.82 39.9 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 33' ' ' SER . 45.3 mp0 -151.41 125.83 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 36' ' ' SER . 82.5 mt -150.0 134.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' N ' HG21 ' A' ' 35' ' ' ILE . 8.4 t -101.34 142.37 32.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 91' ' ' VAL . 60.5 t -117.39 97.22 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -92.25 142.04 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.411 ' CZ2' ' HB2' ' A' ' 50' ' ' TYR . 29.6 p90 -149.81 163.9 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -90.1 136.15 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -64.7 133.85 52.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.58 158.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.5 -26.28 66.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.55 98.99 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.14 0.04 29.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 HD11 ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -77.07 -16.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.4 m -51.54 147.78 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -84.35 -47.35 10.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -173.39 162.4 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' HB2' ' CZ2' ' A' ' 39' ' ' TRP . 95.8 m-85 -91.92 107.49 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -78.56 118.31 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -102.43 95.86 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -86.79 124.76 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' CD1' HD21 ' A' ' 78' ' ' LEU . 22.7 p90 -140.77 136.19 32.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.4 p90 -160.03 158.85 31.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.553 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -64.77 145.97 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.58 17.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.553 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 16.1 p-80 -72.49 -41.25 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 168.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -115.09 168.77 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -28.63 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -68.29 -29.01 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.7 15.12 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.03 134.59 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -91.77 158.77 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -137.55 134.95 36.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.02 92.05 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.34 105.83 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.14 159.78 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -51.29 135.16 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -55.21 -20.24 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -68.66 -26.15 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.19 96.48 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -49.98 -27.01 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -142.74 170.21 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.75 171.1 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -126.78 143.18 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 54' ' ' TYR . 26.5 mt -116.52 145.53 43.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -141.56 162.97 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 69.06 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.7 mt -105.32 144.16 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.15 143.97 96.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.73 154.49 67.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.7 t0 34.53 48.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -127.15 138.65 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.62 125.68 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.45 118.64 27.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -79.55 96.52 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 90' ' ' GLU . 36.3 mt -86.98 149.6 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' ' 89' ' ' ILE . 36.6 tt0 -158.99 126.66 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.452 ' CG2' HG13 ' A' ' 37' ' ' VAL . 76.1 t -114.65 127.42 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.73 120.75 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -77.79 122.29 25.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.6 t -153.76 140.22 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.44 ' ND2' HD11 ' A' ' 46' ' ' ILE . 35.3 p-10 -104.12 172.36 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.3 t -70.45 -28.18 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.7 -72.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.03 159.71 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.98 129.86 40.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.17 151.82 17.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.536 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.56 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.55 21.27 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.2 p -88.62 -174.75 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.67 143.34 57.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.5 ttm -74.73 109.64 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 11.0 mt -103.95 150.62 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -117.5 144.64 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.97 154.03 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -132.1 105.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.2 p -68.1 172.23 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -92.52 167.67 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -74.63 132.82 42.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.75 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.0 p -142.83 148.69 37.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -177.53 -174.75 44.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -10.82 29.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.0 t -74.37 138.31 43.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -154.46 144.01 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.435 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p 45.85 42.1 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -85.7 144.32 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.05 130.7 2.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -80.16 170.22 16.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.942 0.401 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -128.94 144.89 51.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.64 3.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.86 -39.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.73 120.33 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -76.95 130.67 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 pt -85.91 43.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.55 -50.01 75.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.3 p -64.28 -9.2 16.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.03 132.47 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -77.62 -47.64 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -151.13 179.94 7.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.86 148.42 17.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.448 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.73 136.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -124.41 -21.0 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.88 139.15 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 148.99 35.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.79 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.47 174.9 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 56.44 39.23 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 p -95.56 116.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.65 168.15 23.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 89' ' ' ILE . 27.8 m -122.25 139.88 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -117.44 128.79 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.74 107.31 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.81 -49.07 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -152.96 176.76 11.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -54.29 -33.31 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -125.46 30.15 5.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -141.94 121.4 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.9 mt -144.7 124.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -102.3 141.4 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 91' ' ' VAL . 26.0 t -120.03 113.13 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -100.98 150.95 22.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 p90 -157.18 160.76 39.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.09 131.86 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.431 ' CE1' ' O ' ' A' ' 71' ' ' SER . 9.9 m170 -55.33 129.63 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.87 143.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.86 -21.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' CB ' HG11 ' A' ' 47' ' ' VAL . 8.3 mm-40 -70.67 92.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -14.08 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 HD11 ' ND2' ' A' ' 95' ' ' ASN . 23.4 pt -75.53 -23.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 44' ' ' GLU . 18.6 m -51.11 114.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.89 -58.45 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' OE1' ' A' ' 68' ' ' GLN . 2.8 p -161.33 167.88 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.409 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . 59.7 m-85 -100.7 115.19 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -88.21 124.92 34.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.4 mp -106.65 108.32 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -92.87 138.83 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.83 138.12 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -162.78 142.4 9.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.43 148.67 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.91 66.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 6.1 p-80 -75.55 -33.07 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 6.8 m-20 -66.06 169.45 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.58 161.04 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -65.34 -19.5 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -71.55 -35.36 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.46 16.69 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.97 133.64 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -88.74 154.32 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.08 146.68 41.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.17 124.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 68' ' ' GLN . 1.7 pp0? -100.87 167.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 68' ' ' GLN . 19.0 m -149.78 167.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -57.45 141.13 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 87.1 p -58.85 -13.24 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -86.7 -16.31 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.94 103.27 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.87 -4.74 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -155.92 158.18 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.01 171.86 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -128.21 141.04 51.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -116.38 145.42 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -145.42 165.02 29.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.57 42.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.58 176.32 5.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.2 mt -102.0 144.64 29.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 134.19 27.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 15.8 t0 52.17 48.53 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.6 m -126.55 138.98 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.48 121.88 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.3 106.35 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' CD1' HG11 ' A' ' 27' ' ' VAL . 17.2 mt -100.0 137.75 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' N ' HG21 ' A' ' 89' ' ' ILE . 3.2 pt-20 -150.16 129.53 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.418 ' CG2' HG11 ' A' ' 37' ' ' VAL . 87.4 t -102.16 140.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.22 122.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.405 ' CB ' ' CD2' ' A' ' 50' ' ' TYR . . . -95.47 130.76 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.28 154.4 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' HD11 ' A' ' 46' ' ' ILE . 43.5 p-10 -111.0 161.1 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -54.76 -16.0 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.43 -73.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.34 150.48 17.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 21.9 p -83.4 151.05 25.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.448 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -120.51 155.62 16.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.66 40.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.46 40.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -56.71 -178.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 144.2 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.97 105.47 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 107' ' ' GLU . 10.6 mt -105.36 140.08 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.457 ' N ' HG22 ' A' ' 106' ' ' ILE . 1.1 pm0 -109.15 134.98 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.25 153.19 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -129.97 110.5 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.9 p -70.14 162.52 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -82.24 170.74 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 113' ' ' ALA . 36.1 mttp -73.69 91.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . 34.18 36.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' LYS . 1.6 t -66.64 126.61 29.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.08 177.22 21.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.74 48.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.4 p -134.59 123.84 24.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 m -58.85 136.24 57.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -123.81 161.72 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -160.04 172.11 18.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 73.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -109.38 120.06 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -87.73 113.04 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.66 71.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.31 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.087 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.5 121.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.1 t -87.57 120.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mt -51.55 119.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -136.36 154.85 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.4 m -149.02 160.82 42.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.97 148.29 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -60.9 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -171.08 -179.41 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.467 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -142.21 145.01 33.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.51 42.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 m -123.88 -17.77 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -103.93 146.23 28.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.46 146.3 34.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.49 3.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 m -97.37 172.58 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 62.62 37.96 12.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 p -96.62 121.53 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.39 163.91 21.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.9 m -121.14 120.87 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -98.43 139.06 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.53 105.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -78.45 -57.6 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -150.65 178.18 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.4 p -52.28 -31.48 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -126.13 34.55 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.416 ' C ' HG13 ' A' ' 35' ' ' ILE . 53.8 mm-40 -148.59 136.36 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.416 HG13 ' C ' ' A' ' 34' ' ' GLU . 44.0 mt -156.84 124.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -98.57 135.75 39.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG11 ' CG2' ' A' ' 91' ' ' VAL . 26.2 t -115.96 110.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -103.76 142.48 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.439 ' CH2' HD13 ' A' ' 52' ' ' ILE . 42.8 p90 -144.25 169.41 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 5.7 tp10 -91.65 151.99 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.593 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 10.1 m170 -80.13 131.58 35.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.8 m -81.09 148.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.75 -14.36 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.65 4.04 50.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.463 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 8.6 pt -78.34 -24.1 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' ILE . 32.1 m -50.81 112.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 49' ' ' SER . 22.1 pt-20 -51.2 -49.03 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 85.7 p -169.91 171.43 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -104.27 109.08 20.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.85 119.03 29.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.439 HD13 ' CH2' ' A' ' 39' ' ' TRP . 5.3 mp -102.86 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 16.9 ttp-105 -88.76 130.31 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.468 ' CE1' HG21 ' A' ' 67' ' ' VAL . 1.5 p90 -139.28 147.8 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.451 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 16.4 p90 -169.68 148.34 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 147.97 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.17 -29.95 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -80.73 -37.04 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.11 159.25 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -103.51 167.79 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.58 -26.15 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.76 -38.75 80.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.95 2.55 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.05 140.65 57.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -88.52 -177.26 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -164.91 122.63 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG21 ' CE1' ' A' ' 54' ' ' TYR . 61.1 t -105.29 122.78 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 141.1 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.6 m -139.78 170.39 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -67.29 139.02 57.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.1 p -52.26 -18.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -75.05 -33.45 61.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.88 102.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 18.8 m-85 -62.24 -14.27 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.5 p -146.98 179.24 7.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.79 174.31 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -131.14 139.56 49.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -111.35 134.25 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -133.4 162.45 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.73 53.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -111.23 175.45 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.93 143.2 26.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 139.85 40.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.4 t0 46.89 54.9 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.564 HG23 ' CE1' ' A' ' 87' ' ' TYR . 5.3 m -137.39 133.52 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.556 ' OE1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 tp60 -70.82 136.05 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.564 ' CE1' HG23 ' A' ' 85' ' ' THR . 13.2 m-85 -134.03 120.0 19.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.8 104.52 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 90' ' ' GLU . 13.1 mt -100.17 140.75 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' N ' HG23 ' A' ' 89' ' ' ILE . 4.9 tm-20 -144.35 130.33 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.461 ' CG2' HG11 ' A' ' 37' ' ' VAL . 70.0 t -115.11 110.34 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.34 128.53 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -85.12 130.65 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.5 t -156.43 134.32 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.463 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 41.9 p-10 -104.9 150.84 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -51.17 -23.76 3.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.67 -74.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -110.6 163.66 12.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.57 144.75 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.45 149.61 19.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.6 33.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 160.33 50.11 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -72.44 -176.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.17 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 46.7 ttm -47.57 115.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.0 mt -110.19 144.18 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.456 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . 9.5 pt-20 -113.06 150.38 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -140.91 150.68 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 11.5 m-85 -122.92 111.29 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.5 p -61.3 168.97 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.17 179.68 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -93.45 127.65 39.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.53 88.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.095 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -64.76 148.71 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.47 177.96 17.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 114.47 3.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p -84.71 4.44 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.3 m -122.48 94.57 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -116.66 167.87 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -83.42 135.02 34.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.31 177.02 17.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -93.75 170.13 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -146.2 142.42 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 79.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 p -102.43 141.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.89 109.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.3 m -62.19 119.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.24 163.69 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -147.25 160.94 41.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.5 t -148.71 114.58 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.31 162.02 27.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -84.2 -46.72 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -142.97 169.05 18.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.452 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -158.01 144.11 12.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 129.21 17.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -113.3 -22.61 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -111.06 156.39 21.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.78 147.61 66.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.63 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.24 169.4 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 56.72 39.89 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 12.9 t -70.13 157.2 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -123.61 154.43 17.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.7 m -137.24 123.81 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -110.31 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.39 108.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.29 -49.5 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -149.0 177.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 p -56.87 -25.07 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m -131.73 35.25 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.65 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.4 mt -143.32 128.49 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -94.7 143.62 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG13 ' CG2' ' A' ' 91' ' ' VAL . 59.2 t -122.12 107.63 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.9 115.19 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.49 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.3 p90 -114.0 -176.31 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -105.9 125.02 50.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -57.29 131.83 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.54 135.78 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 44' ' ' GLU . 3.4 pp -47.34 -21.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' N ' HD11 ' A' ' 43' ' ' LEU . 17.9 mm-40 -70.74 106.61 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -90.24 8.98 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.464 HD12 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -91.76 -20.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -53.74 145.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.58 -51.55 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 p -157.29 -177.7 6.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.538 ' CE2' ' CB ' ' A' ' 93' ' ' ALA . 94.4 m-85 -117.21 109.5 16.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.442 ' NE2' ' HD3' ' A' ' 66' ' ' ARG . 29.4 tt0 -82.84 108.04 15.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mp -89.96 98.51 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -87.07 132.27 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.1 p90 -144.22 131.84 21.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 p90 -148.95 136.26 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' CB ' ' NE2' ' A' ' 58' ' ' HIS . . . -64.15 143.42 57.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.22 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.46 ' NE2' ' CB ' ' A' ' 56' ' ' ALA . 7.8 p80 -63.22 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.65 172.51 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -111.57 150.9 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -33.52 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.64 13.31 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -72.3 120.01 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -73.62 173.74 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.442 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 1.3 ptp85 -158.8 134.69 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.61 127.26 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.39 120.74 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.39 144.71 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -41.42 139.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.7 t -57.33 -26.88 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.23 -17.77 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.03 110.16 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -65.79 -25.1 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 96.6 p -142.76 166.58 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.8 -177.4 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -136.36 133.8 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 56.4 mt -104.17 145.26 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.29 160.53 40.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 69.77 50.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.87 158.52 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.6 mt -84.41 143.22 41.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.699 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.39 54.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t70 44.73 50.98 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.9 m -132.47 119.68 20.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.32 129.9 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 18.1 m-85 -127.01 141.34 51.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -102.91 89.63 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.433 HG21 ' N ' ' A' ' 90' ' ' GLU . 11.9 mt -85.36 143.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' CG ' ' HA ' ' A' ' 105' ' ' MET . 22.2 mp0 -152.64 138.33 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.49 HG11 ' CG ' ' A' ' 39' ' ' TRP . 68.9 t -106.08 139.83 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.13 124.66 2.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.538 ' CB ' ' CE2' ' A' ' 50' ' ' TYR . . . -103.67 133.88 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.2 p -167.86 155.0 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 46' ' ' ILE . 49.8 p-10 -111.03 161.6 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 t -58.33 -15.12 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.59 -69.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -118.99 157.66 15.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.58 154.85 17.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -135.69 160.34 24.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.97 49.59 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.85 6.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -94.77 168.29 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.36 141.7 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.462 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 5.8 ttp -73.36 106.1 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.77 147.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -115.95 141.11 48.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.09 150.49 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.36 107.75 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.5 p -64.75 163.46 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -79.56 163.34 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -80.69 123.81 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.93 133.45 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -129.41 93.25 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.77 52.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.38 56.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 p -83.93 114.79 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.1 t -123.6 102.9 8.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -154.41 162.38 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -125.75 163.74 22.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.84 102.71 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 p -84.9 82.92 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 t -129.39 155.48 45.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.2 93.3 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.63 110.4 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.78 126.87 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.34 130.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.7 -12.94 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -61.14 117.25 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t -108.88 166.92 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.59 157.9 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -93.07 -48.33 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -152.07 149.9 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.48 144.13 24.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.67 45.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -122.74 -17.56 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -102.03 146.76 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.45 149.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.67 174.07 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 58.61 36.81 25.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.9 p -95.43 126.93 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.26 164.48 23.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.3 m -125.31 127.35 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -107.33 125.69 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.57 119.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.22 -59.46 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 178.96 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -53.54 -39.12 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -119.16 37.08 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -149.64 128.35 12.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.9 mt -146.81 134.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -105.73 147.88 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.3 t -130.1 116.16 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -105.79 146.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -151.48 173.06 15.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -106.7 128.7 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 28.7 m170 -57.3 127.42 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.9 m -70.56 172.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.93 -19.44 37.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -73.74 113.9 11.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -86.73 5.13 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.2 pt -93.45 -15.66 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 15.7 m -56.53 117.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.67 -53.91 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.86 172.17 11.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 93' ' ' ALA . 80.2 m-85 -103.56 120.29 40.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -92.39 114.76 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -101.64 89.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -81.39 128.55 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 44.0 p90 -133.07 141.99 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 88' ' ' PHE . 8.5 p90 -162.86 137.96 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' CB ' ' NE2' ' A' ' 58' ' ' HIS . . . -60.21 141.72 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.33 -42.08 30.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.419 ' NE2' ' CB ' ' A' ' 56' ' ' ALA . 8.1 p80 -71.17 -20.36 62.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.46 162.83 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -96.5 152.1 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.52 -21.93 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -28.33 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.5 12.39 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.432 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -69.4 135.76 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 30.9 m120 -78.86 150.93 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -121.28 135.73 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.0 t -131.37 120.07 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -108.95 136.65 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' THR . 27.5 m -140.11 140.69 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' VAL . 80.5 p -36.16 137.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -56.72 -16.52 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.79 -25.45 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.49 116.55 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.0 m-85 -78.84 2.47 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.6 p -162.22 177.46 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.62 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 tpp85 -134.7 135.45 42.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.0 mt -115.01 150.15 36.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -146.1 173.43 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 62.9 47.08 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.2 mt -110.5 149.06 30.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.32 144.57 74.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 144.86 55.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 14.8 t0 43.3 41.85 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 90.0 m -125.83 121.1 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 54.7 tt0 -57.52 133.01 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -130.98 116.63 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 43.4 m-85 -80.09 117.43 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 90' ' ' GLU . 26.1 mt -110.36 142.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.465 ' N ' HG23 ' A' ' 89' ' ' ILE . 10.2 mt-10 -134.48 119.28 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -113.01 110.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.36 131.09 4.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.559 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -76.11 156.5 33.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 22.9 p -173.47 141.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.457 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 35.7 p-10 -110.39 171.35 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -64.72 -37.06 86.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.457 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -55.71 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.76 163.13 13.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 72.5 m -98.09 130.63 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.66 156.5 20.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.16 39.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.23 68.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -77.01 -178.03 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.63 143.52 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.463 ' CE ' ' HG3' ' A' ' 90' ' ' GLU . 7.2 tpt -74.76 98.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.6 mt -93.84 138.84 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.32 142.49 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.6 154.16 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 86' ' ' GLN . 6.8 m-85 -130.8 110.78 11.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -68.8 177.03 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.77 169.1 9.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -72.84 133.18 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.16 105.33 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -111.06 -68.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.36 -158.05 27.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.64 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.0 t -147.74 179.36 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.4 p -138.51 145.5 40.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -55.88 -63.35 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -50.18 138.21 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.75 -172.22 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -151.7 -177.99 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -104.2 16.73 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.06 57.74 1.66 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -99.99 141.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.34 153.26 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.28 135.92 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.6 pp -38.42 151.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -97.5 114.08 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 m -64.29 108.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.95 137.77 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -162.32 168.65 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.77 144.09 40.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 t -114.23 -0.41 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.416 ' CG ' ' HB ' ' A' ' 42' ' ' VAL . 1.4 pm0 -117.69 173.51 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.01 66.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.6 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.98 178.56 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 47.52 48.44 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.5 p -96.56 136.43 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.99 164.45 28.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 108' ' ' ALA . 18.2 m -126.84 124.01 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -101.64 125.47 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.11 117.83 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -92.91 -49.95 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 m -153.45 176.09 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.1 p -53.14 -31.08 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 33.25 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.4 mt-10 -147.51 133.55 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.408 HG13 ' CD1' ' A' ' 81' ' ' LEU . 21.7 mt -156.86 129.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -99.47 138.83 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 HG13 ' CG2' ' A' ' 91' ' ' VAL . 40.1 t -112.62 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -94.01 143.64 26.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.97 170.66 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -102.08 137.34 40.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.532 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 8.3 m170 -57.85 139.49 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.416 ' HB ' ' CG ' ' A' ' 20' ' ' GLU . 19.1 m -81.18 146.03 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 44' ' ' GLU . 3.0 pp -53.02 -22.22 5.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' HG2' ' CD1' ' A' ' 43' ' ' LEU . 4.8 mm-40 -92.27 126.37 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.6 9.6 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 47' ' ' VAL . 8.2 pt -78.46 -25.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 ' N ' HG13 ' A' ' 46' ' ' ILE . 22.6 m -51.3 160.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.66 -54.57 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -148.96 162.4 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.428 ' O ' ' CD1' ' A' ' 52' ' ' ILE . 79.4 m-85 -99.84 106.31 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -78.87 121.89 25.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 50' ' ' TYR . 5.4 mp -111.9 97.78 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -88.05 117.86 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -126.92 147.98 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 14.5 p90 -167.58 150.85 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -63.94 144.47 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.85 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 11.2 p-80 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.492 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 53.4 m-20 -62.65 154.32 29.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.45 171.89 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.7 -10.98 59.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -83.29 -33.02 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.39 -1.53 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.01 134.23 53.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -81.23 -175.87 5.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -161.51 129.58 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.94 98.61 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -93.07 134.96 34.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.1 167.26 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -62.11 154.27 27.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 p -60.11 -26.48 66.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 116.83 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE2' ' CD2' ' A' ' 41' ' ' HIS . 17.1 m-85 -79.79 -18.09 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 p -141.17 163.87 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.86 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -127.63 139.28 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.69 137.91 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -139.49 161.81 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 70.93 42.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' CD1' HG13 ' A' ' 35' ' ' ILE . 5.0 mt -103.78 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.48 144.07 80.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.74 151.12 69.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.1 t0 36.85 49.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 m -136.36 131.18 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -70.12 143.74 52.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -136.36 114.91 11.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 41.7 m-85 -76.12 100.31 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.7 mt -93.81 139.32 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.79 119.28 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 ' CG2' HG13 ' A' ' 37' ' ' VAL . 49.5 t -109.71 117.71 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.24 122.04 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.03 137.59 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.1 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -167.14 139.25 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 24.5 p30 -102.45 174.46 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -67.63 -19.37 65.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.495 ' N ' ' OD1' ' A' ' 95' ' ' ASN . . . -71.51 -74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.64 160.98 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.4 148.08 23.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.8 163.73 13.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 153.24 69.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -75.41 176.32 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.05 156.31 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 44.7 ttm -79.7 96.2 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.2 mt -95.23 142.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.6 131.94 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB2' ' CG2' ' A' ' 27' ' ' VAL . . . -112.35 150.68 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.52 114.93 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.0 p -74.51 162.91 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -87.61 172.12 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -74.8 130.76 40.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.56 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -48.41 159.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.12 136.44 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.6 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.6 p -84.29 147.46 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.8 t -129.58 117.79 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t 61.01 43.25 11.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -61.26 176.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.01 126.82 41.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -131.66 146.88 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -135.01 140.85 45.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.31 115.68 4.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.77 128.33 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.2 111.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.88 121.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.404 ' CG2' ' O ' ' A' ' 11' ' ' ILE . 11.7 mt 40.76 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -62.4 160.94 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -120.78 105.12 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.64 172.45 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.456 ' NE2' ' HB2' ' A' ' 97' ' ' ALA . 8.6 pm0 -131.42 -38.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.426 ' N ' ' HG2' ' A' ' 15' ' ' GLN . 2.7 t70 -168.26 -175.66 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.25 145.8 16.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 147.07 62.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -121.92 -15.56 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.7 146.88 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.49 64.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.17 179.41 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 43.62 35.78 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 p -83.25 127.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.08 173.13 22.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 33.5 m -121.89 150.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.128 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -117.74 135.92 53.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -90.78 108.14 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.8 -64.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -146.66 -174.99 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.0 p -59.24 -29.62 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.406 ' C ' ' HG3' ' A' ' 34' ' ' GLU . 16.4 m -126.47 28.05 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' HG3' ' C ' ' A' ' 33' ' ' SER . 30.2 mt-10 -143.84 136.82 27.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 36' ' ' SER . 75.5 mt -152.73 140.82 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.468 ' N ' HG22 ' A' ' 35' ' ' ILE . 3.6 m -108.95 154.37 22.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 91' ' ' VAL . 19.2 t -133.19 106.63 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -102.08 159.18 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.469 ' CD2' HG12 ' A' ' 91' ' ' VAL . 40.5 p90 -166.69 169.72 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -95.72 128.92 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -59.52 137.43 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.97 149.82 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.56 -24.43 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.49 125.7 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -99.48 -9.99 22.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 pt -93.43 25.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 12.2 m -91.75 112.48 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.93 -61.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -174.69 157.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -77.33 101.16 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -83.89 126.15 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.7 99.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -86.55 112.68 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.54 145.03 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -166.62 151.42 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 153.36 41.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.43 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.9 p-80 -65.23 -38.32 90.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.512 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 26.9 m-20 -54.56 167.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -114.37 154.53 27.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -50.94 -42.84 59.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.96 -33.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 17.83 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.68 122.03 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.59 154.3 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -130.17 129.0 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.73 131.32 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -111.22 129.91 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.58 144.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -40.05 138.05 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.5 p -51.82 -26.95 10.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.32 -40.49 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.51 92.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -53.17 -25.91 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -144.33 160.05 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.23 175.13 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -132.32 156.01 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.9 mt -129.81 140.11 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.9 173.18 11.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.06 53.57 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.13 148.77 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.49 143.52 90.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.5 57.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 38.98 53.49 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.3 m -131.97 129.12 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.77 128.58 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.8 104.7 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -69.4 120.76 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 22.6 mt -115.56 148.7 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.36 147.08 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 HG12 ' CD2' ' A' ' 39' ' ' TRP . 36.9 t -139.15 105.64 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.21 121.06 3.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.0 118.32 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.6 m -150.96 145.98 25.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -109.58 168.93 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -68.65 -35.78 77.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.456 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -51.01 -70.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.9 161.81 13.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.38 102.7 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.08 169.93 42.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.43 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.89 23.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -82.94 -175.61 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.32 146.21 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.1 ttm -87.05 120.85 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 mp -112.49 141.45 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -103.72 132.09 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -112.45 153.89 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.55 106.66 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.7 p -69.65 165.02 22.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.168 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.78 169.78 14.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 126.6 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.69 87.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -68.76 -42.7 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -167.91 150.62 16.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.46 19.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 m -85.63 142.32 29.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -60.9 -48.54 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -126.48 133.85 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -69.2 147.42 51.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.02 174.06 33.4 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -102.66 102.31 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -158.36 160.93 37.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.63 97.48 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.04 162.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.66 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' ILE . 35.8 m -66.42 168.42 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 10' ' ' VAL . 50.0 mm -34.33 122.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -100.24 40.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.8 m 52.05 42.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.92 164.5 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -76.16 -45.8 31.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -156.87 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.0 145.81 16.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.698 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 134.24 27.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 p -116.38 -31.65 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -97.61 148.26 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 149.14 59.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 114.18 3.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 m -107.37 171.81 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 55.49 41.03 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 9.5 t -76.82 154.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -138.82 162.32 25.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -138.23 129.72 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -103.06 131.03 50.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -82.7 87.78 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -59.28 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -151.27 -179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -61.62 -27.47 68.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.48 28.63 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.413 ' C ' HG13 ' A' ' 35' ' ' ILE . 21.4 mt-10 -153.73 139.52 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 HG13 ' C ' ' A' ' 34' ' ' GLU . 84.1 mt -153.67 140.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -101.03 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 t -126.63 99.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -99.46 132.16 44.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.521 ' NE1' ' CD2' ' A' ' 50' ' ' TYR . 47.8 p90 -134.83 160.42 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.42 156.65 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 6.2 m170 -85.1 133.68 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -81.33 150.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.36 -11.05 5.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -96.25 104.97 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -85.18 4.78 32.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.22 -22.72 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 m -50.22 144.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -41.61 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -162.61 177.65 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.521 ' CD2' ' NE1' ' A' ' 39' ' ' TRP . 94.4 m-85 -112.98 108.7 17.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.56 117.74 20.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mp -106.61 118.6 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -104.26 112.09 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -121.29 135.84 55.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -166.56 156.55 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -74.27 154.8 38.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.09 -39.27 63.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.481 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 39.6 p-80 -70.69 -46.01 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 40.4 m-20 -55.01 157.73 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -100.51 165.95 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -67.87 -46.64 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.34 4.64 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.102 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.99 124.9 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -73.01 168.98 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -143.75 128.78 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -113.34 124.14 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -110.37 105.04 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -103.9 169.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -63.76 164.52 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.9 p -78.45 -12.54 60.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.49 -19.09 43.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -84.13 111.46 19.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 14.4 m-85 -70.87 -5.2 28.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.443 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 67.7 p -158.84 172.9 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.61 179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -134.27 131.18 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.76 150.18 24.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -141.68 168.21 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 62.19 51.84 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 mt -108.15 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.8 mt -78.42 142.9 63.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.13 39.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 23.1 t70 50.49 47.45 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 86' ' ' GLN . 94.0 m -127.55 137.99 52.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.444 ' N ' HG21 ' A' ' 85' ' ' THR . 48.1 tt0 -77.74 116.7 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -114.22 125.11 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -88.63 107.22 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 90' ' ' GLU . 19.0 mt -100.01 136.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.437 ' N ' HG21 ' A' ' 89' ' ' ILE . 15.4 mt-10 -143.57 117.11 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.1 t -95.89 130.59 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.29 121.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.483 ' HB3' ' CE2' ' A' ' 50' ' ' TYR . . . -82.2 143.57 31.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 p -170.57 144.35 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -110.95 152.76 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -47.27 -22.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.04 -75.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.87 153.53 17.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.12 158.51 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 159.78 23.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.66 35.87 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.92 58.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.4 p -73.67 -174.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 156.09 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.0 ttm -82.91 107.98 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.54 148.48 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.29 137.0 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.41 153.27 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.79 109.97 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.2 p -75.94 152.42 37.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -71.12 173.59 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -80.35 91.55 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . 34.02 36.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' LYS . 1.5 t -128.44 153.48 47.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.02 159.54 27.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.83 12.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.3 m -39.28 -46.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -137.99 129.74 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -57.22 177.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -71.63 -55.56 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.06 -133.49 23.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -105.65 121.03 43.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 m -134.31 142.83 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.81 -75.41 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.7 t 65.61 45.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.28 156.34 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.74 121.38 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.4 mt -107.02 -46.32 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -45.87 123.76 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -47.88 133.91 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.6 136.07 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pm0 -86.33 -29.2 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -169.69 174.72 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.55 142.88 15.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -97.95 -23.55 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.55 144.43 27.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 148.77 58.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 103.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.47 -179.22 4.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 46.64 41.07 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.9 t -80.01 160.44 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.546 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -141.12 173.86 23.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.03 140.89 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.2 tptp -109.43 138.11 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.55 84.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.9 -47.61 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -153.75 -179.0 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -61.15 -29.91 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -126.83 32.82 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -150.27 112.21 4.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.2 mt -134.65 127.92 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 17.4 t -90.1 137.17 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.485 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 31.2 t -115.3 104.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 3.6 m-70 -107.78 119.86 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.477 ' CE3' HG22 ' A' ' 91' ' ' VAL . 45.3 p90 -117.66 176.21 5.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.91 132.96 43.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 11.1 m170 -61.7 130.64 46.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.97 170.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 4.24 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -99.71 95.98 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -76.65 4.69 8.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.41 ' CD1' ' HB2' ' A' ' 95' ' ' ASN . 2.4 pp -86.65 -18.06 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.1 m -51.68 139.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' HG3' ' N ' ' A' ' 49' ' ' SER . 3.1 pt-20 -89.79 -30.85 17.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 3.0 m -174.33 178.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -116.36 133.28 56.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -103.46 122.16 44.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.34 93.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -83.43 115.34 22.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -128.46 148.16 50.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -172.16 146.97 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 164.67 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.68 80.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 2.6 p-80 -63.56 -39.79 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 2.4 m-20 -54.42 170.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -119.46 167.15 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.86 -30.22 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 11.8 pt-20 -67.28 -32.99 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -102.41 15.92 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.28 131.79 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.73 -179.6 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -160.06 136.48 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.87 126.15 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.94 118.42 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.9 m -125.9 152.66 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.2 t -48.2 147.35 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -64.26 -23.91 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -69.84 -13.37 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.63 96.23 10.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 12.3 m-85 -53.77 -22.27 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.4 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.6 p -145.24 166.53 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.33 175.96 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.1 ttp-105 -125.87 132.08 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 72.6 mt -101.53 143.55 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -140.11 162.82 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 71.28 51.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -114.26 157.05 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.44 142.03 39.93 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.592 0.711 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.77 139.74 40.91 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.377 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' LYS . 32.7 t70 51.97 44.26 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.49 HG21 ' CE2' ' A' ' 87' ' ' TYR . 39.3 m -125.45 136.18 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.403 ' N ' HG23 ' A' ' 85' ' ' THR . 54.1 tt0 -76.27 125.01 28.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.49 ' CE2' HG21 ' A' ' 85' ' ' THR . 12.2 m-85 -125.78 126.26 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -89.41 91.92 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -80.58 144.68 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 30.9 tt0 -150.0 125.29 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 ' CG2' ' CG1' ' A' ' 37' ' ' VAL . 69.7 t -104.04 118.13 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.29 120.57 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.02 152.94 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 111.051 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.6 t -152.54 134.1 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 96' ' ' SER . 7.8 t30 -100.85 138.61 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.6 t -42.83 -24.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.417 ' N ' ' O ' ' A' ' 95' ' ' ASN . . . -92.34 -71.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.99 164.08 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.07 155.54 23.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.63 171.15 13.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.22 59.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.41 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 54.6 Cg_endo -69.68 151.92 69.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.0 p -72.88 177.08 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.91 144.26 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.1 ttm -66.61 116.33 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.467 ' CD1' HG12 ' A' ' 25' ' ' VAL . 19.9 mt -109.92 151.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.63 134.53 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.31 153.74 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.36 109.53 11.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.4 p -72.86 -178.47 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASP . 6.4 mmpt? -107.44 -178.32 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.28 131.93 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.97 121.97 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -123.89 126.82 47.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.54 158.14 8.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -38.11 8.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -65.43 -61.5 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.4 p -98.34 141.28 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 m -72.47 119.5 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -163.6 149.56 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.38 131.65 10.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -86.35 -47.61 9.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -63.09 91.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.89 -52.75 7.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.96 130.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.24 173.74 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.0 p -89.14 122.35 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.72 166.6 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -55.49 141.58 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -74.01 150.54 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -161.68 151.93 17.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -100.62 -20.71 15.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -173.65 -175.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.06 138.31 12.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.437 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.9 Cg_endo -69.79 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -97.11 -35.13 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -92.76 146.9 23.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.18 148.53 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.75 -179.46 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 46.96 39.51 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.7 t -76.65 159.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.533 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -132.98 168.06 23.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.61 126.11 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' VAL . 21.1 tptt -103.51 144.2 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 98.8 t -108.3 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.32 -48.04 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -150.21 -176.7 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -62.24 -34.07 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -118.1 26.59 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.412 ' CD1' HD12 ' A' ' 81' ' ' LEU . 58.4 mt -139.79 124.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.12 149.36 21.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.44 107.9 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -105.67 116.56 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.509 ' CD2' HG13 ' A' ' 91' ' ' VAL . 47.1 p90 -114.69 178.13 4.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -102.86 138.16 40.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.686 ' CG ' ' CE1' ' A' ' 74' ' ' TYR . 9.4 m170 -69.02 127.45 33.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.9 m -74.57 137.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 44' ' ' GLU . 1.1 pp -41.57 -33.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' N ' HD11 ' A' ' 43' ' ' LEU . 15.4 mt-10 -85.51 126.02 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -103.26 8.17 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -76.79 -4.92 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 m -64.52 141.43 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.05 -54.05 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 p -168.32 156.41 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.3 m-85 -92.37 130.71 37.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -112.28 128.11 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 52' ' ' ILE . 4.8 mp -103.82 89.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 8.9 ttp-105 -75.67 118.71 18.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -129.95 145.14 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 13.4 p90 -164.45 148.34 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.71 150.51 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.2 -41.43 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.2 p-80 -73.6 -36.96 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 6.8 m-20 -54.49 162.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -106.74 165.0 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -61.72 -33.22 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -66.67 -44.99 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.45 9.03 16.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.17 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -79.49 177.42 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -162.52 133.39 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.41 125.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 50' ' ' TYR . 1.6 tp-100 -109.52 117.71 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.3 -179.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.2 p -68.31 141.72 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -56.48 -26.82 55.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.01 -26.36 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.12 100.55 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.686 ' CE1' ' CG ' ' A' ' 41' ' ' HIS . 15.0 m-85 -63.95 -17.15 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.8 p -143.01 164.38 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.77 158.45 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.17 136.31 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 mt -109.01 136.05 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 53.6 mt-10 -131.11 160.38 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 79' ' ' GLU . 2.1 m-80 74.96 48.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.412 HD12 ' CD1' ' A' ' 35' ' ' ILE . 27.3 mt -110.85 160.16 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -86.14 143.38 37.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 145.99 58.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.9 t70 40.53 52.42 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.563 HG21 ' CE2' ' A' ' 87' ' ' TYR . 15.6 m -133.62 129.94 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.65 129.65 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.563 ' CE2' HG21 ' A' ' 85' ' ' THR . 13.3 m-85 -129.17 126.1 38.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 47.1 m-85 -86.18 100.11 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 90' ' ' GLU . 49.9 mt -98.41 139.39 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' N ' HG23 ' A' ' 89' ' ' ILE . 6.1 tm-20 -145.37 124.6 12.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.509 HG13 ' CD2' ' A' ' 39' ' ' TRP . 94.2 t -106.84 120.64 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.01 134.15 6.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.464 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -86.46 135.6 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.5 t -158.32 136.64 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 21.5 p30 -109.2 159.9 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -60.74 -13.23 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.51 -72.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.84 146.39 17.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.4 t -78.67 146.55 33.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.437 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -127.89 149.9 18.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 135.09 29.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 165.55 30.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.3 p -77.11 -178.88 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.46 134.08 55.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.9 113.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 34.9 mt -108.39 140.52 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.75 134.9 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -121.34 154.78 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -129.92 107.43 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.5 p -66.4 -177.29 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -108.72 167.06 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -68.62 136.03 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.37 136.27 44.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.2 m 41.91 51.25 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -84.44 146.94 22.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -3.92 12.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 t -37.94 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 t -96.87 138.21 34.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -62.18 104.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -143.48 141.3 30.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.16 -43.55 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -47.47 126.18 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -66.17 -47.04 75.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.81 -154.71 7.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -109.9 -39.85 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.71 149.93 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.3 m -117.15 154.9 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.76 110.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -118.1 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m -150.46 133.82 16.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.81 161.49 42.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -67.15 -43.66 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -174.4 169.77 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.85 143.13 15.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.42 23.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -116.45 -16.59 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -99.82 136.94 38.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 148.46 35.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -77.36 -179.35 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' THR . 2.4 pt-20 35.83 51.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.1 p -97.89 117.45 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.2 175.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -131.84 129.53 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 111.109 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -102.23 130.36 48.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t -81.67 126.88 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -98.36 -57.3 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -148.35 174.29 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -53.89 -31.05 48.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -121.53 28.63 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -146.4 140.4 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.9 mt -155.2 135.6 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.5 m -110.89 138.26 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 HG13 ' CG2' ' A' ' 91' ' ' VAL . 45.8 t -115.58 108.87 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -102.37 136.44 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.42 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 45.2 p90 -146.34 167.7 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 3.1 tp10 -88.51 144.39 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 6.9 m170 -80.88 129.38 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.71 142.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 44' ' ' GLU . 2.5 pp -52.98 -17.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' CG ' HD13 ' A' ' 43' ' ' LEU . 12.8 mt-10 -88.0 116.87 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.61 7.45 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.24 -16.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -56.36 135.02 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -71.07 -53.15 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -165.31 173.24 11.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -105.71 103.05 12.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -79.12 132.47 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.66 114.32 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.515 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.8 ttp180 -102.73 109.59 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.521 ' CE1' ' CB ' ' A' ' 65' ' ' ASN . 15.2 p90 -118.36 136.6 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.515 ' CE3' ' HG2' ' A' ' 53' ' ' ARG . 33.0 p90 -157.81 146.77 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.528 ' HB2' ' CE1' ' A' ' 58' ' ' HIS . . . -68.1 146.35 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.24 -44.85 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.528 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 35.1 p-80 -66.37 -47.58 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 6.0 m-20 -51.57 172.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -116.67 159.17 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -57.18 -25.28 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.11 -41.55 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.3 17.22 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.6 129.96 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.521 ' CB ' ' CE1' ' A' ' 54' ' ' TYR . 7.2 m-80 -67.07 145.83 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 24.0 mtm105 -117.83 124.61 48.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.0 t -134.26 106.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -99.33 141.91 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 m -125.26 179.8 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -76.28 160.25 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -78.47 -7.28 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.28 -1.6 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -103.62 105.55 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 10.1 m-85 -63.09 -9.58 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.42 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 5.7 p -153.67 156.86 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.98 -178.4 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 9.8 ttp-105 -137.41 144.16 42.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.9 mt -125.84 143.75 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -141.81 168.69 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.27 46.53 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -108.26 159.36 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.93 143.75 43.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.2 Cg_endo -69.72 154.55 67.76 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 1.4 p-10 37.6 47.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -129.32 140.79 51.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -81.75 142.41 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -141.21 122.85 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -85.69 102.68 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 90' ' ' GLU . 51.6 mt -92.96 134.55 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.421 ' N ' HG21 ' A' ' 89' ' ' ILE . 10.7 tt0 -131.58 122.34 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.415 ' CG2' HG13 ' A' ' 37' ' ' VAL . 54.4 t -116.49 113.94 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.55 123.14 2.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -72.73 139.17 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 t -167.71 136.8 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -103.01 173.73 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -70.31 -24.28 62.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.74 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.03 151.36 17.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 90.3 m -83.5 122.76 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.84 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.94 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.21 54.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.3 p -70.52 -178.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.17 162.99 28.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttm -75.12 117.17 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -110.61 142.4 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -115.01 144.93 42.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.79 153.8 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.33 106.74 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.2 p -67.66 161.98 24.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -74.09 162.68 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -73.78 131.92 42.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -69.87 97.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.9 m -161.89 147.71 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.66 -176.43 54.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 109.65 2.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.8 m -78.24 92.99 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.3 m -52.55 167.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -145.19 169.02 19.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -111.42 168.88 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.03 132.33 10.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -152.11 138.14 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -159.34 145.48 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.86 72.5 1.06 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 p -38.71 -40.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -45.19 98.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.54 141.74 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.84 123.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -112.36 118.91 36.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -95.68 89.06 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.63 151.16 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -85.57 -47.57 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -163.37 176.9 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.12 136.49 10.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.82 28.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -120.65 -22.47 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.413 ' OE2' ' CD2' ' A' ' 43' ' ' LEU . 19.0 tt0 -94.53 138.64 32.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.26 148.82 37.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.1 m -94.92 171.11 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 61.08 33.86 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -89.0 126.6 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.19 -177.85 15.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.1 m -145.72 125.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.136 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -113.66 125.52 54.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.8 t -86.38 122.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -92.35 -46.61 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.6 -178.05 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -59.76 -36.36 76.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.5 t -116.32 15.31 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -128.24 137.93 52.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.3 mt -156.2 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 m -126.35 137.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -121.57 112.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -108.46 136.46 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.1 p90 -138.41 -178.37 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.01 132.0 53.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -62.17 136.51 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 m -83.83 169.47 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' CD2' ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -80.02 -9.49 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.8 mp0 -82.96 108.36 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -15.07 57.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 HD12 ' ND2' ' A' ' 95' ' ' ASN . 2.3 pp -75.86 -16.21 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 15.2 m -53.01 115.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.05 -51.78 65.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.33 179.71 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -111.78 104.16 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' CD ' ' O ' ' A' ' 92' ' ' GLY . 18.3 pm0 -80.14 144.68 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.82 89.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -75.15 126.19 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.88 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.2 p90 -156.74 146.55 20.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.468 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -61.11 146.46 47.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.71 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.482 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 9.1 p-80 -66.74 -41.23 88.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.482 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 2.6 m-20 -51.37 174.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.84 171.77 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.8 13.2 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -113.11 -30.45 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.44 17.25 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.82 132.87 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -80.47 -177.86 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -155.02 115.36 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -98.99 112.9 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -101.45 123.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -128.09 155.33 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.2 t -45.11 136.84 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -52.67 -35.23 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -54.99 -43.42 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.42 113.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.89 -12.62 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 p -148.53 165.57 30.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.87 172.3 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -132.18 150.43 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 48.2 mt -119.33 146.93 44.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -138.07 166.22 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 60.76 53.41 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.4 mt -117.76 145.87 44.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.0 148.2 78.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 150.83 69.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 110' ' ' THR . 33.2 t70 41.44 54.25 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.6 m -129.23 123.49 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -69.15 117.29 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -119.97 118.89 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -79.71 102.0 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.453 HG21 ' N ' ' A' ' 90' ' ' GLU . 28.5 mt -94.58 136.7 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.453 ' N ' HG21 ' A' ' 89' ' ' ILE . 19.0 mp0 -141.0 123.59 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.497 HG11 ' CD2' ' A' ' 39' ' ' TRP . 47.5 t -116.21 113.39 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' CD ' ' A' ' 51' ' ' GLN . . . -140.08 125.05 2.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.23 133.7 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 t -158.62 133.57 8.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.47 ' ND2' HD12 ' A' ' 46' ' ' ILE . 33.5 p-10 -108.22 150.86 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -47.85 -39.87 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.19 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.94 153.23 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.8 m -102.83 125.65 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.66 160.18 14.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.32 42.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.8 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -77.74 177.73 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.89 144.43 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.1 ttm -70.77 103.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.408 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -100.29 151.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 2.3 pm0 -125.46 136.28 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.93 154.14 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.24 102.68 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 84' ' ' ASP . 57.8 p -57.19 -175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -103.14 167.37 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -81.31 121.35 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.62 -62.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 t -84.16 133.65 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.16 142.53 6.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.77 51.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 m -159.3 147.05 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 83.8 p -79.51 88.59 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.573 ' HB2' HD13 ' A' ' 46' ' ' ILE . 9.7 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 143.66 12.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.73 135.56 30.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.605 2.203 . . . . 0.0 112.388 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 p -123.09 -20.2 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.21 143.37 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.66 148.85 37.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.89 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.671 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -87.47 176.3 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.671 ' H ' HG22 ' A' ' 23' ' ' THR . 41.6 mt-10 54.93 41.47 31.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' HIS . 12.4 p -91.43 129.31 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.37 147.99 19.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.718 HG12 HG22 ' A' ' 37' ' ' VAL . 2.1 m -112.31 137.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD2' HD23 ' A' ' 30' ' ' LEU . 11.8 tmtt? -114.0 127.36 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.49 101.2 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 28' ' ' LYS . 48.3 mt -73.59 -59.33 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -137.83 179.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -53.58 -40.27 65.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 m -118.19 18.58 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.655 HD11 HG22 ' A' ' 110' ' ' THR . 53.1 mt -152.74 141.82 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 t -108.41 140.31 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.718 HG22 HG12 ' A' ' 27' ' ' VAL . 36.0 t -120.87 107.79 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.0 m-70 -101.8 160.82 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.529 ' CD2' HG11 ' A' ' 91' ' ' VAL . 32.9 p90 -167.77 159.93 12.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -89.96 129.98 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -58.46 127.56 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 47' ' ' VAL . 27.9 m -67.14 154.65 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.45 -6.41 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.84 105.38 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -79.75 5.69 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.1 pt -83.16 -23.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.6 m -57.6 128.96 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.43 -49.58 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -157.44 -179.86 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.892 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 66.2 m-85 -116.28 124.44 50.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.38 114.44 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.2 mp -104.45 99.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 30.4 p90 -153.31 133.97 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -157.79 164.74 36.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -75.97 157.57 32.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB2' ' OE1' ' A' ' 86' ' ' GLN . . . -50.24 -39.11 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 17.4 p80 -72.72 -44.37 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -52.27 164.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -110.8 152.7 26.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -55.86 -27.74 53.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.22 -28.98 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.66 11.3 39.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.38 134.52 36.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 34.0 m-80 -58.4 174.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -141.63 129.98 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.9 t -122.49 102.17 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -98.8 108.95 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -112.62 150.89 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.7 p -45.28 136.32 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -13.14 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.2 -33.29 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.81 102.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.91 -18.44 13.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.9 p -146.17 170.12 17.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.08 178.65 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -134.63 140.59 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.0 mt -115.49 139.8 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -138.95 168.56 19.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.44 46.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.99 177.56 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.68 143.73 27.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.9 Cg_endo -69.78 145.67 57.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.3 t70 40.14 54.73 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.2 m -135.63 134.16 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 53.9 tt0 -70.87 128.05 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.95 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.36 110.68 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.633 HD13 HG11 ' A' ' 27' ' ' VAL . 21.0 mt -103.02 155.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 89' ' ' ILE . 31.6 tt0 -159.04 125.96 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' CD2' ' A' ' 39' ' ' TRP . 63.8 t -105.82 119.67 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.64 123.05 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -85.61 148.96 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 p -171.52 150.39 2.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.737 ' ND2' HD12 ' A' ' 46' ' ' ILE . 47.8 p30 -109.01 171.92 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -67.89 -12.43 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.01 -73.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.1 148.94 18.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.06 146.2 26.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -113.41 158.09 14.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.01 52.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 155.17 66.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 p -82.23 179.96 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.09 146.57 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.2 ttm -84.01 113.37 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -112.32 151.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -115.84 140.93 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.03 153.85 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.6 101.42 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.655 HG22 HD11 ' A' ' 35' ' ' ILE . 81.9 p -63.66 169.3 4.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -91.71 170.27 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -76.59 128.4 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.788 0.328 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -168.58 143.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.33 50.55 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -122.84 -22.19 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -99.88 143.13 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.76 148.79 36.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.68 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -88.67 178.34 6.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.68 ' H ' HG22 ' A' ' 23' ' ' THR . 14.4 mt-10 56.38 40.92 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 106' ' ' ILE . 3.0 p -95.7 130.25 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.87 24.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.09 134.31 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -114.16 127.84 56.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 101.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.03 -61.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -146.18 177.98 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 p -57.78 -26.4 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.2 p -128.07 28.77 5.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 35' ' ' ILE . 20.2 mt-10 -148.34 136.83 21.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 81' ' ' LEU . 58.7 mt -152.12 144.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -112.17 130.39 55.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 45.0 t -113.59 103.27 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -98.69 143.68 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 42.0 p90 -150.61 164.57 35.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.79 143.09 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.482 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 11.5 m170 -72.58 133.26 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -86.18 143.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.0 -16.28 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.14 123.5 20.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -102.06 1.7 36.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 pt -95.86 -22.06 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.616 ' O ' HG23 ' A' ' 47' ' ' VAL . 28.2 m -44.03 113.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -58.47 -48.49 80.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 p -171.05 -179.74 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -113.51 120.5 41.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -97.76 109.02 21.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.39 84.37 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.11 118.72 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HE2' HG23 ' A' ' 67' ' ' VAL . 30.3 p90 -136.27 138.14 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.0 p90 -165.95 153.31 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -64.08 154.11 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.71 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 59' ' ' ASP . 15.3 p80 -62.75 -39.76 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -57.66 164.14 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -104.43 168.25 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.99 -19.6 64.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -80.87 -30.55 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.14 16.59 22.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.92 136.65 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -106.81 153.46 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.563 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -135.57 158.63 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' HE2' ' A' ' 54' ' ' TYR . 44.4 t -122.22 102.28 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.68 129.96 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.5 177.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -63.33 135.26 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.5 m -54.31 -25.01 21.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.89 -32.82 74.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.31 111.02 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 21.4 m-85 -74.18 -3.41 29.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 80.6 p -162.08 169.96 20.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.33 173.73 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -137.36 129.53 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 81' ' ' LEU . 45.9 mt -103.72 151.37 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 -178.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.25 45.96 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 35' ' ' ILE . 79.3 mt -101.22 144.38 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.4 143.5 93.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.9 Cg_endo -69.75 152.02 69.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.346 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' PRO . 22.7 t70 35.34 53.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -128.0 132.76 49.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -76.75 109.55 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.56 121.17 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 54.2 m-85 -83.25 106.24 14.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 mt -100.27 140.19 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.5 125.08 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG11 ' CG ' ' A' ' 39' ' ' TRP . 73.1 t -107.59 98.33 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -128.38 130.42 6.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.52 149.19 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.4 t -172.2 139.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -109.39 172.6 6.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -70.75 -30.49 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -116.93 162.73 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.49 127.47 49.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.3 153.26 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.56 45.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.23 46.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.62 2.213 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -80.59 176.22 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.6 137.06 54.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 31.4 ttm -63.08 113.07 2.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 25' ' ' VAL . 32.1 mt -105.33 137.7 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 1.0 OUTLIER -112.67 142.17 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.45 154.83 46.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -132.38 108.5 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 p -69.46 166.05 19.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -83.13 171.88 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.69 125.67 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.02 143.15 10.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.531 0.682 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.75 135.29 30.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 t -125.12 -14.27 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -112.04 140.09 47.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.03 147.97 35.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.07 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.34 175.97 8.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.636 ' H ' HG22 ' A' ' 23' ' ' THR . 52.6 mt-10 56.33 49.38 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 106' ' ' ILE . 2.8 p -99.91 154.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -154.94 -178.55 29.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -140.81 120.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' ILE . 13.2 tptt -99.41 135.99 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.13 102.44 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -77.1 -54.35 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.2 m -145.82 172.58 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -53.01 -24.59 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.2 27.93 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.93 123.39 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 28' ' ' LYS . 23.6 mt -143.28 126.84 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.0 t -94.22 138.54 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 91.8 t -116.73 107.65 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -105.43 138.6 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.815 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.5 p90 -142.84 166.48 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.86 138.03 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 7.3 m170 -67.47 131.51 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.55 140.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.2 -18.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.81 100.47 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -80.19 4.82 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.3 pt -77.97 -16.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 47' ' ' VAL . 23.8 m -62.89 126.85 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.19 -41.76 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 p -165.67 174.47 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.667 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 51.8 m-85 -111.41 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -92.55 115.48 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 93.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -82.75 148.29 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 65' ' ' ASN . 29.6 p90 -155.67 134.17 11.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 11.1 p90 -162.53 163.7 27.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -73.8 146.34 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.49 -49.47 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 21.5 p-80 -60.62 -43.33 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 5.8 m-20 -57.84 173.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -115.3 150.63 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -54.07 -39.73 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 6.3 pt-20 -55.1 -45.96 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.44 14.13 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 61' ' ' GLU . . . -80.57 128.27 33.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 11.5 m-80 -53.02 149.0 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 18.9 mtm105 -120.45 123.99 44.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.55 112.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.36 121.53 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.405 HG21 ' HH2' ' A' ' 39' ' ' TRP . 31.7 m -117.77 160.91 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -53.65 138.11 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -56.01 -17.15 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -79.23 -30.73 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.24 105.45 2.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.7 m-85 -65.28 -18.08 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 24.9 p -146.95 160.3 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.54 -175.83 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -140.5 127.42 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.36 143.38 32.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.14 173.62 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 60.24 47.63 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 7.9 mt -106.9 171.07 7.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.4 143.49 26.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.7 Cg_endo -69.77 148.78 65.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 38.97 50.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.2 m -129.72 123.78 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.82 126.53 47.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 33.1 m-85 -90.15 102.77 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.16 147.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -148.78 126.74 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.815 HG11 ' CG ' ' A' ' 39' ' ' TRP . 42.5 t -106.57 116.32 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.06 131.43 4.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -88.71 154.24 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.1 p -173.07 145.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 46' ' ' ILE . 8.4 p-10 -109.89 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -72.04 -10.58 59.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.74 -71.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.88 158.57 14.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.65 132.38 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -104.95 152.19 17.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.23 47.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.47 60.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -79.31 -175.91 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.86 127.55 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 ttm -60.3 115.56 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 25' ' ' VAL . 18.9 mt -109.76 150.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -118.62 145.91 45.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -131.89 154.06 49.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -128.52 117.31 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.1 p -74.7 175.6 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -91.78 168.35 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.61 115.61 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.16 148.42 14.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 54.4 Cg_endo -69.71 138.52 38.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -127.02 -36.72 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -94.08 146.04 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 144.54 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.63 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -79.91 -179.24 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 53.36 40.07 30.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 106' ' ' ILE . 4.6 p -94.83 106.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.189 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.36 176.45 18.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 27' ' ' VAL . 27.7 m -139.98 122.57 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.171 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -108.34 134.13 51.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.91 113.91 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 46.3 mt -83.49 -44.22 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 m -163.32 -179.63 6.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.1 p -49.54 -40.22 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -123.03 41.37 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 30' ' ' LEU . 28.0 mt-10 -152.91 122.78 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 110' ' ' THR . 20.8 mt -145.99 126.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -100.46 132.95 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.789 HG21 HG21 ' A' ' 89' ' ' ILE . 46.9 t -113.57 109.13 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -97.57 151.85 19.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -155.77 161.89 40.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -88.57 153.84 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.606 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.2 m170 -80.26 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.67 169.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.9 pp -76.39 -27.44 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 43' ' ' LEU . 16.1 mt-10 -88.49 115.34 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.89 6.69 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -77.06 -20.53 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' HB1' ' A' ' 93' ' ' ALA . 19.9 m -53.54 139.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.65 -50.55 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -167.61 174.12 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 76.9 m-85 -103.22 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.611 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -105.32 114.26 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -104.1 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -131.68 138.03 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -157.34 151.84 25.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' ASP . . . -69.91 141.03 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.52 -28.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -78.94 -32.94 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 56' ' ' ALA . 9.4 t0 -68.77 173.5 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -108.71 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.33 -18.41 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.65 -19.38 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.84 12.46 37.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.67 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.53 158.33 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.92 130.66 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.42 102.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -97.62 126.93 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.2 175.28 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 p -67.13 136.52 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.3 p -53.79 -17.1 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.77 -32.33 52.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.92 99.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 14.0 m-85 -61.27 -13.54 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 p -150.08 163.2 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.25 176.24 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.11 138.7 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.0 142.16 46.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -140.06 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 m120 64.27 33.7 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.33 151.24 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.52 145.52 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.53 65.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 39.82 48.93 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.8 m -132.02 126.49 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -58.53 142.62 48.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -145.83 118.97 8.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.51 109.81 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.789 HG21 HG21 ' A' ' 37' ' ' VAL . 16.1 mt -103.96 146.97 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -151.38 133.53 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 52' ' ' ILE . 32.4 t -113.41 138.6 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.5 128.71 3.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.29 133.7 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.9 p -167.44 158.19 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.813 ' ND2' HD13 ' A' ' 46' ' ' ILE . 34.6 p30 -110.8 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -67.16 -25.78 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 -70.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.29 159.95 13.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.79 152.88 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.433 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -124.97 161.15 19.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.14 39.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.16 69.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.1 p -73.29 166.24 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.56 148.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.2 ttm -74.41 117.11 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -106.75 140.57 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 2.1 pp20? -114.25 138.83 49.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.27 157.6 39.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -134.91 101.33 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.614 HG22 HD11 ' A' ' 35' ' ' ILE . 67.4 p -57.33 173.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -96.23 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -79.16 134.47 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.468 ' HB3' HD13 ' A' ' 46' ' ' ILE . 3.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -165.05 145.98 6.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.3 Cg_endo -69.75 132.25 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.283 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -124.63 -1.09 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -122.8 145.34 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 146.89 35.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -92.6 171.82 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 57.06 41.59 27.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 106' ' ' ILE . 14.2 p -95.22 125.23 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.74 -179.67 16.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -137.17 119.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -104.09 125.63 50.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 109' ' ' PHE . 21.7 t -84.33 129.19 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.54 -46.24 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -147.45 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -71.27 -18.3 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -133.62 33.3 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -153.04 127.62 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -143.82 125.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -97.26 145.91 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 89' ' ' ILE . 30.4 t -126.98 132.75 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -119.48 148.95 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.6 p90 -159.12 161.11 36.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -93.18 143.28 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.505 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 23.5 m170 -67.27 130.33 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -71.32 160.14 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -87.04 113.09 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 2.35 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' ASP . 25.1 pt -77.15 -23.92 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 m -55.21 125.13 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -77.22 -42.87 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -165.19 164.07 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.963 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 2.5 m-85 -103.08 139.51 38.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -108.0 128.32 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 91' ' ' VAL . 4.7 mp -109.64 91.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm105 -74.92 117.12 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -125.76 137.45 53.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -169.31 136.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 155.11 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.77 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 4.2 p80 -61.47 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 4.3 m-20 -52.89 173.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -122.65 153.81 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.76 -34.12 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.795 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -61.63 -40.16 93.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.795 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -94.54 14.23 21.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.97 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.23 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -137.56 137.07 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.94 101.55 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.88 129.01 35.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.02 155.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.603 HG23 ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -50.3 146.17 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -67.89 -3.08 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -89.11 -8.91 52.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.603 ' HG2' HG23 ' A' ' 70' ' ' THR . 6.4 mm-40 -91.15 116.45 28.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 20.0 m-85 -80.35 7.88 8.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.7 p -164.77 177.82 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.56 -175.6 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -147.78 145.8 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -120.13 153.34 36.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -144.58 174.18 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 56.5 51.09 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 87' ' ' TYR . 32.4 mt -110.46 159.18 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.7 mt -83.35 141.64 42.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.3 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 12.2 t0 52.48 50.42 18.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 92.1 m -137.44 132.53 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -73.32 120.76 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.416 ' CD2' HD22 ' A' ' 81' ' ' LEU . 16.7 m-85 -114.18 107.48 15.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -67.04 115.73 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 37' ' ' VAL . 27.3 mt -113.0 141.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -147.65 118.56 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG22 HG13 ' A' ' 52' ' ' ILE . 85.6 t -94.85 120.05 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.61 120.96 2.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -86.97 136.8 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 p -166.45 159.2 14.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -111.01 167.55 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 t -59.49 -25.89 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.3 157.71 15.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.6 p -101.26 153.94 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -121.1 162.71 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.521 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.5 54.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 158.89 55.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.0 p -83.69 174.31 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD1' ' CG1' ' A' ' 25' ' ' VAL . 7.2 p-10 -47.36 128.92 12.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.1 ttm -62.84 108.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.587 ' CD1' HG13 ' A' ' 25' ' ' VAL . 11.2 mt -105.99 146.3 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.85 127.53 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -110.14 148.9 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.545 ' O ' HG21 ' A' ' 29' ' ' VAL . 7.7 m-85 -117.05 128.05 54.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.6 p -89.9 167.78 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -82.66 169.87 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 113' ' ' ALA . 4.1 mmmm -87.26 99.31 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.695 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.8 p30 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.61 148.92 10.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.55 0.691 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HG3' ' CB ' ' A' ' 94' ' ' CYS . 53.9 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.6 p -117.67 -40.26 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 10.3 tt0 -92.4 151.71 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -112.13 149.0 40.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.24 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.693 ' H ' HG22 ' A' ' 23' ' ' THR . 30.0 mt-10 58.56 26.79 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 106' ' ' ILE . 8.9 p -77.0 147.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.55 174.26 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 37' ' ' VAL . 33.3 m -147.4 132.97 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' ILE . 3.8 ptmt -111.34 160.57 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.79 90.18 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 28' ' ' LYS . 38.2 mt -67.69 -46.53 72.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -146.78 -176.33 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -72.55 -12.57 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 t -125.84 -23.75 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 19.1 mt-10 -96.41 146.64 24.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 28' ' ' LYS . 35.8 mt -160.33 128.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 5.5 t -102.48 144.46 30.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.778 HG21 HG21 ' A' ' 89' ' ' ILE . 51.0 t -131.48 109.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -99.33 140.23 33.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CH2' ' C ' ' A' ' 75' ' ' SER . 49.6 p90 -138.98 176.93 8.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.12 130.98 54.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 71' ' ' SER . 4.5 m170 -58.79 136.47 57.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 44' ' ' GLU . 30.7 m -79.01 138.92 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.6 pp -44.68 -24.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.597 ' OE1' HD11 ' A' ' 46' ' ' ILE . 8.4 mt-10 -90.6 109.63 20.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -87.03 10.13 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' ASP . 14.4 pt -75.9 -21.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.44 148.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.6 pt-20 -89.64 -38.02 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 t -170.53 159.72 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.948 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 88.4 m-85 -96.47 111.69 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.26 139.32 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 52' ' ' ILE . 3.4 mp -122.39 90.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 52.2 ttm-85 -73.38 123.77 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 10.4 p90 -135.07 141.8 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 21.7 p90 -171.45 151.32 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 148.23 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.51 -50.7 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -62.53 -40.79 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -53.06 159.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -105.13 157.73 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -54.11 -36.11 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.79 -23.16 66.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.78 9.22 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.3 129.22 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.442 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 5.6 m120 -98.56 137.25 37.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -110.69 124.14 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.31 114.12 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.31 151.84 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' THR . 19.2 m -136.48 148.07 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' VAL . 24.9 p -34.29 146.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 61.2 p -62.84 -26.15 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.83 -25.58 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -77.96 118.61 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 11.1 m-85 -87.87 18.98 3.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.589 ' C ' ' CH2' ' A' ' 39' ' ' TRP . 24.4 p -165.37 178.58 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.38 176.47 8.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -148.14 127.25 12.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.0 mt -106.75 146.66 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.64 159.59 41.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 64.5 54.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.58 165.54 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.61 140.71 29.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.39 65.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 13.6 t70 43.65 49.04 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.4 m -126.16 126.01 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -68.95 106.27 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -105.62 122.03 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.91 96.78 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 37' ' ' VAL . 21.4 mt -90.93 137.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 18.5 tt0 -146.04 120.4 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 39' ' ' TRP . 58.9 t -92.76 136.98 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.79 128.39 3.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.948 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -104.46 142.38 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . 6.1 p -173.58 164.37 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' OD1' ' A' ' 16' ' ' ASP . 51.1 p-10 -110.98 174.38 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -65.3 -32.39 74.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -59.06 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.96 162.73 13.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.8 m -96.56 158.69 15.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -125.21 155.72 18.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.64 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.5 Cg_endo -69.74 152.63 69.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.3 p -79.16 174.93 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.97 118.99 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.4 ttm -62.39 108.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.408 ' CD1' HG13 ' A' ' 25' ' ' VAL . 16.4 mt -101.79 145.59 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.45 137.23 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.89 153.45 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.78 106.4 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.612 HG22 HD11 ' A' ' 35' ' ' ILE . 40.6 p -67.13 176.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -95.41 169.73 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -81.9 117.57 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.42 145.19 22.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.677 ' HD3' HD22 ' A' ' 95' ' ' ASN . 53.4 Cg_endo -69.81 131.9 22.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -114.55 -32.14 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.31 141.43 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.89 148.84 55.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -100.09 177.42 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' THR . 64.8 mt-10 52.53 39.19 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.685 HG22 ' CB ' ' A' ' 39' ' ' TRP . 14.0 t -71.32 159.1 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -125.96 152.66 18.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.24 122.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -106.82 131.38 53.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.98 86.99 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.24 -54.23 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -154.46 -177.45 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 -39.32 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.0 p -120.47 41.39 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.83 118.24 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 81' ' ' LEU . 78.9 mt -138.71 130.38 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 44.1 t -96.56 148.46 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CG2' ' A' ' 91' ' ' VAL . 25.9 t -128.76 98.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 8.4 m-70 -100.54 121.63 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CH2' HD11 ' A' ' 52' ' ' ILE . 46.7 p90 -117.89 -175.09 2.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -107.74 131.17 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CD2' ' CD2' ' A' ' 74' ' ' TYR . 5.5 m170 -60.11 136.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -93.08 141.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -51.97 -22.9 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.4 107.52 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -87.11 5.57 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.6 pt -78.62 -25.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.518 ' CG1' ' HB1' ' A' ' 93' ' ' ALA . 20.2 m -51.74 133.28 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -85.74 -37.94 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.9 p -163.86 164.01 23.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 52' ' ' ILE . 85.4 m-85 -105.9 110.02 22.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -81.37 124.24 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.75 HD11 ' CH2' ' A' ' 39' ' ' TRP . 4.3 mp -112.06 98.42 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.53 166.07 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.0 p90 -175.2 135.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.6 p90 -167.26 165.85 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.649 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -77.52 150.84 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.54 -34.28 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.649 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 22.5 p80 -74.25 -38.97 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.41 161.07 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -102.9 159.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -61.51 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.17 -33.34 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.55 13.61 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.48 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 36.9 m-80 -80.57 159.58 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -152.91 149.94 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.0 t -115.82 131.59 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.14 103.28 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.47 176.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.7 p -66.19 131.08 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -49.17 -26.61 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -66.75 -33.92 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.13 102.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CD2' ' CD2' ' A' ' 41' ' ' HIS . 13.0 m-85 -55.89 -26.07 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.0 p -139.94 170.08 16.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.35 -177.48 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.5 ttp-105 -137.14 143.19 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.5 mt -116.47 149.64 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.67 168.83 18.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 m120 66.29 46.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD13 HD12 ' A' ' 35' ' ' ILE . 5.3 mt -110.51 157.47 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.18 144.23 46.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.8 Cg_endo -69.74 152.22 69.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' PRO . 24.8 t70 35.76 51.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.9 m -132.26 138.93 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.59 130.79 42.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -135.44 114.82 12.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 72.4 m-85 -82.82 106.64 14.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 37' ' ' VAL . 16.8 mt -98.04 136.11 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.07 133.33 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 37' ' ' VAL . 43.9 t -121.49 121.05 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.57 129.65 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -73.58 154.06 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.735 0.302 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.9 p -169.56 129.87 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.677 HD22 ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -109.45 156.83 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -52.05 -25.71 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.37 -74.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.97 149.86 17.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 159.72 18.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.84 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 160.47 49.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -75.94 -175.03 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -65.69 131.47 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.6 ttm -56.53 112.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.2 mt -108.28 140.84 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.6 137.85 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.97 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.8 112.04 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 49.3 p -67.4 171.42 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -95.11 173.03 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.97 117.64 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' OD2' HG21 ' A' ' 46' ' ' ILE . 12.3 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -152.77 143.54 15.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.89 46.55 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -122.43 -27.91 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.84 146.15 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 148.96 37.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.75 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.56 -179.77 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.121 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.728 ' H ' HG22 ' A' ' 23' ' ' THR . 28.6 mt-10 51.04 38.16 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HD11 ' A' ' 106' ' ' ILE . 2.7 p -97.44 128.27 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -179.15 16.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 37' ' ' VAL . 22.1 m -138.41 130.87 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -111.94 128.15 56.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.98 113.74 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.76 -60.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 m -133.62 176.41 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -58.79 -24.45 61.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -128.74 29.95 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.9 mt-10 -146.78 131.14 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 110' ' ' THR . 53.4 mt -150.86 125.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -96.27 131.69 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG13 HG12 ' A' ' 27' ' ' VAL . 38.4 t -111.93 102.34 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -95.21 157.1 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.6 p90 -160.73 162.91 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -87.81 148.93 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 5.7 m170 -74.14 136.14 42.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -76.66 172.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 44' ' ' GLU . 4.6 pp -84.0 -24.19 30.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.1 pm0 -82.32 133.03 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -103.04 3.08 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG21 ' OD2' ' A' ' 16' ' ' ASP . 8.6 pt -76.59 -20.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 93' ' ' ALA . 17.1 m -54.37 158.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.6 -43.21 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 m -167.63 162.87 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 75.2 m-85 -98.68 110.12 22.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.52 101.41 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -87.41 95.36 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttm-85 -82.5 131.79 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -144.83 138.04 26.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -159.7 160.73 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.73 141.84 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 -39.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.472 ' CE1' ' OD1' ' A' ' 59' ' ' ASP . 30.2 p80 -72.2 -44.99 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 78.6 m-20 -53.79 157.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -103.44 160.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.96 -32.91 64.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 18.1 pt-20 -64.27 -47.71 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -86.73 17.92 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.32 131.3 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -100.2 144.66 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' C ' ' NE ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.69 171.53 12.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -133.48 102.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -79.88 101.15 8.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.1 m -100.36 166.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -61.31 134.12 56.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -51.18 -26.46 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.0 -33.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.3 111.02 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.6 m-85 -68.27 -16.61 64.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 m -146.62 172.14 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.11 169.11 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -129.45 125.93 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.12 151.55 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -152.47 176.72 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m120 55.34 48.08 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 35' ' ' ILE . 25.7 mt -107.35 169.43 8.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.0 mt -93.96 143.71 26.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.37 60.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.8 t0 43.38 50.73 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 m -129.88 130.03 44.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -73.62 122.22 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -120.96 124.77 45.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.99 103.77 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 90' ' ' GLU . 23.8 mt -97.39 156.62 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 89' ' ' ILE . 6.2 pt-20 -160.05 140.61 11.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.614 HG22 HG13 ' A' ' 52' ' ' ILE . 97.4 t -128.73 107.01 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.56 122.42 3.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -60.18 125.34 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 t -151.32 134.9 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 12.3 p-10 -110.32 174.75 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t -69.47 -30.6 68.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.1 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.38 163.08 14.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.1 t -101.64 115.65 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.46 150.65 25.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 146.6 60.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.74 67.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.1 p -83.47 -176.72 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -54.59 116.57 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.1 ttm -58.49 103.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 25' ' ' VAL . 11.1 mt -98.95 139.6 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.22 148.72 32.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.2 152.34 48.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.99 103.51 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.74 HG22 HD11 ' A' ' 35' ' ' ILE . 72.2 p -66.36 170.26 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -90.93 170.2 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -82.72 129.7 35.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.76 141.62 39.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.52 35.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -124.47 -24.18 4.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -103.99 131.68 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.78 149.04 38.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.611 0.72 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 100.93 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.6 177.52 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 23' ' ' THR . 15.0 mt-10 56.96 43.8 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.07 134.09 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.37 -170.93 12.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 27' ' ' VAL . 32.4 m -148.87 123.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 35' ' ' ILE . 17.7 tptt -98.62 146.81 25.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 111' ' ' LYS . 84.9 t -105.51 94.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 76.6 mt -69.66 -54.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -157.51 -174.98 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -52.28 -43.94 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.453 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 47.3 m -117.82 39.9 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 33' ' ' SER . 45.3 mp0 -151.41 125.83 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 28' ' ' LYS . 82.5 mt -150.0 134.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -101.34 142.37 32.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG21 HG21 ' A' ' 52' ' ' ILE . 60.5 t -117.39 97.22 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -92.25 142.04 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HB2' ' A' ' 50' ' ' TYR . 29.6 p90 -149.81 163.9 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -90.1 136.15 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -64.7 133.85 52.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.58 158.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.0 pp -67.5 -26.28 66.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 5.6 mm-40 -80.55 98.99 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.14 0.04 29.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.8 pp -77.07 -16.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 93' ' ' ALA . 18.4 m -51.54 147.78 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -84.35 -47.35 10.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -173.39 162.4 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 52' ' ' ILE . 95.8 m-85 -91.92 107.49 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -78.56 118.31 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.787 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -102.43 95.86 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -86.79 124.76 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.549 ' HE1' HG23 ' A' ' 67' ' ' VAL . 22.7 p90 -140.77 136.19 32.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.4 p90 -160.03 158.85 31.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.817 ' HB1' ' CE1' ' A' ' 58' ' ' HIS . . . -64.77 145.97 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.58 17.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.817 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 16.1 p-80 -72.49 -41.25 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 1.9 m-20 -53.41 168.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -115.09 168.77 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -28.63 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -68.29 -29.01 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -103.7 15.12 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.03 134.59 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -91.77 158.77 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -137.55 134.95 36.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -109.02 92.05 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.34 105.83 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.14 159.78 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -51.29 135.16 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -55.21 -20.24 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -68.66 -26.15 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.19 96.48 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -49.98 -27.01 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -142.74 170.21 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.75 171.1 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -126.78 143.18 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 54' ' ' TYR . 26.5 mt -116.52 145.53 43.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -141.56 162.97 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 m120 69.06 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 35' ' ' ILE . 15.7 mt -105.32 144.16 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.15 143.97 96.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.73 154.49 67.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.7 t0 34.53 48.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -127.15 138.65 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.62 125.68 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.45 118.64 27.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -79.55 96.52 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 108' ' ' ALA . 36.3 mt -86.98 149.6 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -158.99 126.66 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.787 HG22 HG13 ' A' ' 52' ' ' ILE . 76.1 t -114.65 127.42 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.73 120.75 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -77.79 122.29 25.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.6 t -153.76 140.22 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.658 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 35.3 p-10 -104.12 172.36 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.3 t -70.45 -28.18 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -62.7 -72.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.03 159.71 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.98 129.86 40.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.17 151.82 17.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.536 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.56 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.55 21.27 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.2 p -88.62 -174.75 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.67 143.34 57.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.5 ttm -74.73 109.64 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -103.95 150.62 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -117.5 144.64 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 89' ' ' ILE . . . -123.97 154.03 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -132.1 105.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 35' ' ' ILE . 65.2 p -68.1 172.23 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 29' ' ' VAL . 11.7 mmtp -92.52 167.67 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -74.63 132.82 42.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.86 148.42 17.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.73 136.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -124.41 -21.0 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.88 139.15 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 148.99 35.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.79 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -81.47 174.9 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' H ' HG22 ' A' ' 23' ' ' THR . 19.7 mt-10 56.44 39.23 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.6 p -95.56 116.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.65 168.15 23.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.671 HG12 HG22 ' A' ' 37' ' ' VAL . 27.8 m -122.25 139.88 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -117.44 128.79 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.74 107.31 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.81 -49.07 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -152.96 176.76 11.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -54.29 -33.31 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -125.46 30.15 5.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -141.94 121.4 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 110' ' ' THR . 57.9 mt -144.7 124.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -102.3 141.4 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 27' ' ' VAL . 26.0 t -120.03 113.13 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -100.98 150.95 22.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 p90 -157.18 160.76 39.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.09 131.86 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 129.63 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.87 143.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.86 -21.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' VAL . 8.3 mm-40 -70.67 92.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -14.08 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.456 HD12 ' ND2' ' A' ' 95' ' ' ASN . 23.4 pt -75.53 -23.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.6 m -51.11 114.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.89 -58.45 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' OE1' ' A' ' 68' ' ' GLN . 2.8 p -161.33 167.88 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.929 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 59.7 m-85 -100.7 115.19 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -88.21 124.92 34.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 91' ' ' VAL . 5.4 mp -106.65 108.32 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -92.87 138.83 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.83 138.12 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -162.78 142.4 9.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -54.43 148.67 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.91 66.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.434 ' CE1' ' OD2' ' A' ' 59' ' ' ASP . 16.0 p80 -75.55 -33.07 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 6.8 m-20 -66.06 169.45 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.58 161.04 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -65.34 -19.5 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -71.55 -35.36 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.46 16.69 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.97 133.64 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -88.74 154.32 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.08 146.68 41.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.17 124.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 68' ' ' GLN . 1.7 pp0? -100.87 167.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 68' ' ' GLN . 19.0 m -149.78 167.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -57.45 141.13 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.1 p -58.85 -13.24 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -86.7 -16.31 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.94 103.27 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.87 -4.74 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -155.92 158.18 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.01 171.86 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -128.21 141.04 51.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -116.38 145.42 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -145.42 165.02 29.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.57 42.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.58 176.32 5.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.2 mt -102.0 144.64 29.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 134.19 27.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 15.8 t0 52.17 48.53 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.6 m -126.55 138.98 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.48 121.88 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.3 106.35 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.606 HG21 HG21 ' A' ' 37' ' ' VAL . 17.2 mt -100.0 137.75 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -150.16 129.53 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 52' ' ' ILE . 87.4 t -102.16 140.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.22 122.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.929 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -95.47 130.76 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.28 154.4 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' HD12 ' A' ' 46' ' ' ILE . 43.5 p-10 -111.0 161.1 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -54.76 -16.0 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.43 -73.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.34 150.48 17.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 21.9 p -83.4 151.05 25.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -120.51 155.62 16.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.66 40.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.46 40.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -56.71 -178.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 144.2 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.97 105.47 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 mt -105.36 140.08 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -109.15 134.98 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -119.25 153.19 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -129.97 110.5 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.745 HG22 HD11 ' A' ' 35' ' ' ILE . 76.9 p -70.14 162.52 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -82.24 170.74 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 113' ' ' ALA . 36.1 mttp -73.69 91.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -142.21 145.01 33.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.51 42.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 m -123.88 -17.77 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.1 tt0 -103.93 146.23 28.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.46 146.3 34.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.49 3.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.3 m -97.37 172.58 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' THR . 27.6 mt-10 62.62 37.96 12.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 p -96.62 121.53 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.39 163.91 21.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 108' ' ' ALA . 27.9 m -121.14 120.87 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.0 ttpt -98.43 139.06 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.53 105.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -78.45 -57.6 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -150.65 178.18 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.4 p -52.28 -31.48 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -126.13 34.55 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' C ' HG13 ' A' ' 35' ' ' ILE . 53.8 mm-40 -148.59 136.36 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.739 HD11 HG22 ' A' ' 110' ' ' THR . 44.0 mt -156.84 124.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -98.57 135.75 39.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 89' ' ' ILE . 26.2 t -115.96 110.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -103.76 142.48 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.8 p90 -144.25 169.41 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 5.7 tp10 -91.65 151.99 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.593 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 10.1 m170 -80.13 131.58 35.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.8 m -81.09 148.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -57.75 -14.36 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.0 mm-40 -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.65 4.04 50.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 1.002 HD12 ' ND2' ' A' ' 95' ' ' ASN . 8.6 pt -78.34 -24.1 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.1 m -50.81 112.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 49' ' ' SER . 22.1 pt-20 -51.2 -49.03 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 85.7 p -169.91 171.43 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 84.8 m-85 -104.27 109.08 20.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.85 119.03 29.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.437 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.3 mp -102.86 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 16.9 ttp-105 -88.76 130.31 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 67' ' ' VAL . 1.5 p90 -139.28 147.8 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 16.4 p90 -169.68 148.34 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 147.97 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.17 -29.95 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -80.73 -37.04 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.11 159.25 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -103.51 167.79 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.58 -26.15 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.76 -38.75 80.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.95 2.55 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.05 140.65 57.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -88.52 -177.26 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -164.91 122.63 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 54' ' ' TYR . 61.1 t -105.29 122.78 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 141.1 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.6 m -139.78 170.39 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -67.29 139.02 57.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.1 p -52.26 -18.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -75.05 -33.45 61.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.88 102.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 18.8 m-85 -62.24 -14.27 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.5 p -146.98 179.24 7.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.79 174.31 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -131.14 139.56 49.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -111.35 134.25 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -133.4 162.45 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.73 53.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -111.23 175.45 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.93 143.2 26.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 139.85 40.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.4 t0 46.89 54.9 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.3 m -137.39 133.52 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.706 ' NE2' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -70.82 136.05 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -134.03 120.0 19.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.8 104.52 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 37' ' ' VAL . 13.1 mt -100.17 140.75 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -144.35 130.33 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 39' ' ' TRP . 70.0 t -115.11 110.34 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.34 128.53 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.598 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.12 130.65 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.5 t -156.43 134.32 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 1.002 ' ND2' HD12 ' A' ' 46' ' ' ILE . 41.9 p-10 -104.9 150.84 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -51.17 -23.76 3.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.67 -74.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -110.6 163.66 12.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.57 144.75 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.45 149.61 19.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.6 33.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 160.33 50.11 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -72.44 -176.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.17 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 46.7 ttm -47.57 115.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.0 mt -110.19 144.18 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.06 150.38 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -140.91 150.68 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.706 ' CD1' ' NE2' ' A' ' 86' ' ' GLN . 11.5 m-85 -122.92 111.29 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.739 HG22 HD11 ' A' ' 35' ' ' ILE . 41.5 p -61.3 168.97 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.17 179.68 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -93.45 127.65 39.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.095 179.805 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -158.01 144.11 12.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.74 129.21 17.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -113.3 -22.61 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -111.06 156.39 21.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.78 147.61 66.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.63 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -97.24 169.4 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 23' ' ' THR . 27.8 mt-10 56.72 39.89 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 39' ' ' TRP . 12.9 t -70.13 157.2 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -123.61 154.43 17.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 37' ' ' VAL . 11.7 m -137.24 123.81 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' ILE . 19.7 tttt -110.31 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.39 108.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.29 -49.5 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -149.0 177.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 p -56.87 -25.07 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m -131.73 35.25 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.65 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG22 ' A' ' 110' ' ' THR . 56.4 mt -143.32 128.49 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -94.7 143.62 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.776 HG21 HG21 ' A' ' 89' ' ' ILE . 59.2 t -122.12 107.63 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.9 115.19 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.3 p90 -114.0 -176.31 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -105.9 125.02 50.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -57.29 131.83 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.54 135.78 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.4 pp -47.34 -21.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 43' ' ' LEU . 17.9 mm-40 -70.74 106.61 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -90.24 8.98 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -91.76 -20.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -53.74 145.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.58 -51.55 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 p -157.29 -177.7 6.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 1.018 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 94.4 m-85 -117.21 109.5 16.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 66' ' ' ARG . 29.4 tt0 -82.84 108.04 15.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.628 HG13 HG22 ' A' ' 91' ' ' VAL . 4.2 mp -89.96 98.51 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -87.07 132.27 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CE1' HD22 ' A' ' 78' ' ' LEU . 56.1 p90 -144.22 131.84 21.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 p90 -148.95 136.26 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -64.15 143.42 57.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.22 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.638 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 7.8 p80 -63.22 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.65 172.51 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -111.57 150.9 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -33.52 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.64 13.31 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -72.3 120.01 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -73.62 173.74 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 1.3 ptp85 -158.8 134.69 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.61 127.26 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.39 120.74 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.39 144.71 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -41.42 139.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.7 t -57.33 -26.88 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.23 -17.77 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.03 110.16 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -65.79 -25.1 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 96.6 p -142.76 166.58 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.8 -177.4 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -136.36 133.8 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 54' ' ' TYR . 56.4 mt -104.17 145.26 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.29 160.53 40.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 m120 69.77 50.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.87 158.52 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.6 mt -84.41 143.22 41.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.699 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.39 54.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t70 44.73 50.98 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.9 m -132.47 119.68 20.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.32 129.9 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 18.1 m-85 -127.01 141.34 51.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -102.91 89.63 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.776 HG21 HG21 ' A' ' 37' ' ' VAL . 11.9 mt -85.36 143.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 105' ' ' MET . 22.2 mp0 -152.64 138.33 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 39' ' ' TRP . 68.9 t -106.08 139.83 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.13 124.66 2.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 1.018 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -103.67 133.88 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.2 p -167.86 155.0 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' HD13 ' A' ' 46' ' ' ILE . 49.8 p-10 -111.03 161.6 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 t -58.33 -15.12 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.59 -69.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -118.99 157.66 15.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.58 154.85 17.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -135.69 160.34 24.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.97 49.59 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.85 6.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -94.77 168.29 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.36 141.7 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.47 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 5.8 ttp -73.36 106.1 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 25' ' ' VAL . 45.6 mt -95.77 147.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -115.95 141.11 48.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.09 150.49 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.36 107.75 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 35' ' ' ILE . 76.5 p -64.75 163.46 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -79.56 163.34 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -80.69 123.81 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' HD13 ' A' ' 46' ' ' ILE . 35.3 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.48 144.13 24.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.67 45.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -122.74 -17.56 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -102.03 146.76 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.45 149.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.67 174.07 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 23' ' ' THR . 19.2 mt-10 58.61 36.81 25.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' HIS . 2.9 p -95.43 126.93 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.26 164.48 23.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 37' ' ' VAL . 30.3 m -125.31 127.35 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -107.33 125.69 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.57 119.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.403 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 13.2 mt -93.22 -59.46 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 178.96 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -53.54 -39.12 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -119.16 37.08 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -149.64 128.35 12.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.415 HD12 HD13 ' A' ' 81' ' ' LEU . 56.9 mt -146.81 134.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -105.73 147.88 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.635 HG11 ' CG2' ' A' ' 91' ' ' VAL . 20.3 t -130.1 116.16 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 m-70 -105.79 146.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -151.48 173.06 15.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -106.7 128.7 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 28.7 m170 -57.3 127.42 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.495 HG21 HG11 ' A' ' 47' ' ' VAL . 30.9 m -70.56 172.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.93 -19.44 37.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' OE1' HD11 ' A' ' 46' ' ' ILE . 22.0 mm-40 -73.74 113.9 11.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -86.73 5.13 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.71 HD12 ' ND2' ' A' ' 95' ' ' ASN . 12.2 pt -93.45 -15.66 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.7 m -56.53 117.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.67 -53.91 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.86 172.17 11.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 80.2 m-85 -103.56 120.29 40.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -92.39 114.76 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -101.64 89.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -81.39 128.55 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 44.0 p90 -133.07 141.99 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 88' ' ' PHE . 8.5 p90 -162.86 137.96 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.721 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -60.21 141.72 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.33 -42.08 30.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 8.1 p80 -71.17 -20.36 62.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.46 162.83 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -96.5 152.1 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.52 -21.93 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -28.33 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.5 12.39 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -69.4 135.76 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 30.9 m120 -78.86 150.93 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -121.28 135.73 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.0 t -131.37 120.07 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -108.95 136.65 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' THR . 27.5 m -140.11 140.69 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' VAL . 80.5 p -36.16 137.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -56.72 -16.52 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.79 -25.45 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.49 116.55 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.0 m-85 -78.84 2.47 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.6 p -162.22 177.46 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.62 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 7.2 tpp85 -134.7 135.45 42.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 54' ' ' TYR . 21.0 mt -115.01 150.15 36.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -146.1 173.43 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.9 47.08 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 6.2 mt -110.5 149.06 30.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.32 144.57 74.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 144.86 55.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 14.8 t0 43.3 41.85 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 90.0 m -125.83 121.1 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 7.7 tt0 -57.52 133.01 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 56' ' ' ALA . 10.6 m-85 -130.98 116.63 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.513 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 43.4 m-85 -80.09 117.43 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.36 142.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.486 ' HG3' ' CE ' ' A' ' 105' ' ' MET . 10.2 mt-10 -134.48 119.28 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.635 ' CG2' HG11 ' A' ' 37' ' ' VAL . 95.1 t -113.01 110.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.36 131.09 4.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -76.11 156.5 33.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 22.9 p -173.47 141.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.71 ' ND2' HD12 ' A' ' 46' ' ' ILE . 35.7 p-10 -110.39 171.35 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -64.72 -37.06 86.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -55.71 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.76 163.13 13.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 72.5 m -98.09 130.63 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.66 156.5 20.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.16 39.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.23 68.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -77.01 -178.03 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.63 143.52 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 90' ' ' GLU . 7.2 tpt -74.76 98.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.6 mt -93.84 138.84 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.32 142.49 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.6 154.16 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 86' ' ' GLN . 6.8 m-85 -130.8 110.78 11.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -68.8 177.03 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.77 169.1 9.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -72.84 133.18 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.77 144.09 40.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 t -114.23 -0.41 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' CG ' ' HB ' ' A' ' 42' ' ' VAL . 1.4 pm0 -117.69 173.51 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.01 66.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.6 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -84.98 178.56 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 23' ' ' THR . 13.2 mt-10 47.52 48.44 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 106' ' ' ILE . 7.5 p -96.56 136.43 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.99 164.45 28.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 108' ' ' ALA . 18.2 m -126.84 124.01 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -101.64 125.47 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.11 117.83 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -92.91 -49.95 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 m -153.45 176.09 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.1 p -53.14 -31.08 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 33.25 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.4 mt-10 -147.51 133.55 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.756 HD11 HG22 ' A' ' 110' ' ' THR . 21.7 mt -156.86 129.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.567 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 8.7 t -99.47 138.83 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG11 ' CG2' ' A' ' 91' ' ' VAL . 40.1 t -112.62 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 32.5 m-70 -94.01 143.64 26.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.97 170.66 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -102.08 137.34 40.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.532 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 8.3 m170 -57.85 139.49 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 44' ' ' GLU . 19.1 m -81.18 146.03 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.0 pp -53.02 -22.22 5.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.8 mm-40 -92.27 126.37 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.6 9.6 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 47' ' ' VAL . 8.2 pt -78.46 -25.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG11 ' HB1' ' A' ' 93' ' ' ALA . 22.6 m -51.3 160.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.66 -54.57 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -148.96 162.4 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.649 ' O ' HD12 ' A' ' 52' ' ' ILE . 79.4 m-85 -99.84 106.31 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -78.87 121.89 25.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.4 mp -111.9 97.78 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -88.05 117.86 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' HE1' HG23 ' A' ' 67' ' ' VAL . 11.0 p90 -126.92 147.98 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 14.5 p90 -167.58 150.85 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 144.47 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.85 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -62.65 154.32 29.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.45 171.89 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.7 -10.98 59.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -83.29 -33.02 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.39 -1.53 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.01 134.23 53.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -81.23 -175.87 5.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -161.51 129.58 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -124.94 98.61 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -93.07 134.96 34.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.1 167.26 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -62.11 154.27 27.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 p -60.11 -26.48 66.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 116.83 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE2' ' CD2' ' A' ' 41' ' ' HIS . 17.1 m-85 -79.79 -18.09 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 p -141.17 163.87 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.86 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -127.63 139.28 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.69 137.91 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -139.49 161.81 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 70.93 42.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 35' ' ' ILE . 5.0 mt -103.78 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.48 144.07 80.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.74 151.12 69.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.1 t0 36.85 49.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 m -136.36 131.18 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.12 143.74 52.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -136.36 114.91 11.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 41.7 m-85 -76.12 100.31 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' A' ' 27' ' ' VAL . 23.7 mt -93.81 139.32 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.79 119.28 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.622 ' CG2' HG11 ' A' ' 37' ' ' VAL . 49.5 t -109.71 117.71 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.24 122.04 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -72.03 137.59 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -167.14 139.25 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.7 ' OD1' ' HB3' ' A' ' 97' ' ' ALA . 24.5 p30 -102.45 174.46 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -67.63 -19.37 65.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . . . -71.51 -74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.64 160.98 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.4 148.08 23.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.8 163.73 13.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 153.24 69.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -75.41 176.32 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.05 156.31 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 44.7 ttm -79.7 96.2 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 HG13 ' A' ' 25' ' ' VAL . 13.2 mt -95.23 142.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.6 131.94 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.35 150.68 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.52 114.93 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.756 HG22 HD11 ' A' ' 35' ' ' ILE . 61.0 p -74.51 162.91 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -87.61 172.12 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -74.8 130.76 40.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.584 ' HB3' HD13 ' A' ' 46' ' ' ILE . 2.7 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.25 145.8 16.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 147.07 62.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -121.92 -15.56 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.7 146.88 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.49 64.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.708 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.17 179.41 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.708 ' H ' HG22 ' A' ' 23' ' ' THR . 6.2 mm-40 43.62 35.78 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 106' ' ' ILE . 11.3 p -83.25 127.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.08 173.13 22.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' HB ' ' A' ' 89' ' ' ILE . 33.5 m -121.89 150.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -117.74 135.92 53.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -90.78 108.14 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.8 -64.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -146.66 -174.99 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.0 p -59.24 -29.62 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 34' ' ' GLU . 16.4 m -126.47 28.05 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 33' ' ' SER . 30.2 mt-10 -143.84 136.82 27.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' CG2' ' A' ' 110' ' ' THR . 75.5 mt -152.73 140.82 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -108.95 154.37 22.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.499 HG11 ' CG2' ' A' ' 91' ' ' VAL . 19.2 t -133.19 106.63 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -102.08 159.18 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.492 ' HB3' HG23 ' A' ' 25' ' ' VAL . 40.5 p90 -166.69 169.72 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -95.72 128.92 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -59.52 137.43 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.97 149.82 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.56 -24.43 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.49 125.7 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -99.48 -9.99 22.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 16' ' ' ASP . 6.1 pt -93.43 25.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.2 m -91.75 112.48 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.93 -61.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -174.69 157.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -77.33 101.16 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -83.89 126.15 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -106.7 99.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -86.55 112.68 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.54 145.03 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -166.62 151.42 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 153.36 41.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.43 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -65.23 -38.32 90.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -54.56 167.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -114.37 154.53 27.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -50.94 -42.84 59.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.96 -33.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 17.83 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.68 122.03 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.59 154.3 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -130.17 129.0 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.73 131.32 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -111.22 129.91 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.58 144.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -40.05 138.05 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.5 p -51.82 -26.95 10.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.32 -40.49 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.51 92.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -53.17 -25.91 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -144.33 160.05 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.23 175.13 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -132.32 156.01 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.9 mt -129.81 140.11 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.9 173.18 11.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.06 53.57 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 HD12 ' A' ' 35' ' ' ILE . 15.3 mt -112.13 148.77 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.49 143.52 90.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.717 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.79 145.5 57.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 38.98 53.49 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.3 m -131.97 129.12 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.77 128.58 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.8 104.7 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -69.4 120.76 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.606 ' HB ' HG11 ' A' ' 27' ' ' VAL . 22.6 mt -115.56 148.7 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.36 147.08 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 37' ' ' VAL . 36.9 t -139.15 105.64 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.21 121.06 3.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.0 118.32 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.6 m -150.96 145.98 25.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -109.58 168.93 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -68.65 -35.78 77.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.01 -70.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.9 161.81 13.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.38 102.7 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.08 169.93 42.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.43 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.89 23.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -82.94 -175.61 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 106' ' ' ILE . 4.3 t70 -72.32 146.21 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.1 ttm -87.05 120.85 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.519 HD11 HG13 ' A' ' 25' ' ' VAL . 4.6 mp -112.49 141.45 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -103.72 132.09 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.45 153.89 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.55 106.66 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HD11 ' A' ' 35' ' ' ILE . 60.7 p -69.65 165.02 22.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.78 169.78 14.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 126.6 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.717 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.823 0.345 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.0 145.81 16.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.698 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 134.24 27.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 p -116.38 -31.65 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -97.61 148.26 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 149.14 59.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 114.18 3.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.588 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.2 m -107.37 171.81 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 23' ' ' THR . 25.0 mt-10 55.49 41.03 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG22 ' CB ' ' A' ' 39' ' ' TRP . 9.5 t -76.82 154.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -138.82 162.32 25.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -138.23 129.72 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -103.06 131.03 50.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -82.7 87.78 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -59.28 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -151.27 -179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -61.62 -27.47 68.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.48 28.63 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' C ' HG13 ' A' ' 35' ' ' ILE . 21.4 mt-10 -153.73 139.52 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' THR . 84.1 mt -153.67 140.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -101.03 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG2' HG21 ' A' ' 89' ' ' ILE . 28.0 t -126.63 99.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -99.46 132.16 44.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.8 p90 -134.83 160.42 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.42 156.65 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -85.1 133.68 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -81.33 150.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.4 pp -60.36 -11.05 5.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HG2' HD12 ' A' ' 43' ' ' LEU . 72.5 mm-40 -96.25 104.97 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -85.18 4.78 32.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.22 -22.72 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 m -50.22 144.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -41.61 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -162.61 177.65 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.668 ' O ' HD12 ' A' ' 52' ' ' ILE . 94.4 m-85 -112.98 108.7 17.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.56 117.74 20.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 50' ' ' TYR . 4.2 mp -106.61 118.6 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -104.26 112.09 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -121.29 135.84 55.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -166.56 156.55 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.27 154.8 38.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.09 -39.27 63.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 31.3 p80 -70.69 -46.01 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 40.4 m-20 -55.01 157.73 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -100.51 165.95 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 13.9 pt-20 -67.87 -46.64 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -78.34 4.64 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.99 124.9 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -73.01 168.98 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -143.75 128.78 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -113.34 124.14 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -110.37 105.04 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -103.9 169.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -63.76 164.52 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.9 p -78.45 -12.54 60.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.49 -19.09 43.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -84.13 111.46 19.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.459 ' CZ ' ' CD2' ' A' ' 41' ' ' HIS . 14.4 m-85 -70.87 -5.2 28.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 67.7 p -158.84 172.9 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.61 179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -134.27 131.18 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.76 150.18 24.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -141.68 168.21 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.19 51.84 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 35' ' ' ILE . 6.9 mt -108.15 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.8 mt -78.42 142.9 63.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.457 ' CB ' ' H ' ' A' ' 113' ' ' ALA . 54.0 Cg_endo -69.79 139.13 39.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 23.1 t70 50.49 47.45 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -127.55 137.99 52.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -77.74 116.7 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -114.22 125.11 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -88.63 107.22 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.411 HG21 ' CG2' ' A' ' 37' ' ' VAL . 19.0 mt -100.01 136.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -143.57 117.11 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CD2' ' A' ' 39' ' ' TRP . 57.1 t -95.89 130.59 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.29 121.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -82.2 143.57 31.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 p -170.57 144.35 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -110.95 152.76 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -47.27 -22.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.04 -75.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.87 153.53 17.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.12 158.51 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 159.78 23.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.66 35.87 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.92 58.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.4 p -73.67 -174.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 156.09 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.0 ttm -82.91 107.98 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.54 148.48 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.29 137.0 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.41 153.27 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.79 109.97 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 35' ' ' ILE . 81.2 p -75.94 152.42 37.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -71.12 173.59 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -80.35 91.55 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.457 ' H ' ' CB ' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 t0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.55 142.88 15.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -97.95 -23.55 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.55 144.43 27.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 148.77 58.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 103.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.47 -179.22 4.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' HG22 ' A' ' 23' ' ' THR . 43.5 mt-10 46.64 41.07 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.9 t -80.01 160.44 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.546 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -141.12 173.86 23.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.03 140.89 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' ILE . 15.2 tptp -109.43 138.11 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.55 84.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.9 -47.61 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -153.75 -179.0 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -61.15 -29.91 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -126.83 32.82 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -150.27 112.21 4.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' LYS . 36.2 mt -134.65 127.92 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 17.4 t -90.1 137.17 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 91' ' ' VAL . 31.2 t -115.3 104.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 3.6 m-70 -107.78 119.86 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.635 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -117.66 176.21 5.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.91 132.96 43.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 11.1 m170 -61.7 130.64 46.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.97 170.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 4.24 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 47' ' ' VAL . 49.2 mm-40 -99.71 95.98 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -76.65 4.69 8.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 95' ' ' ASN . 2.4 pp -86.65 -18.06 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 44' ' ' GLU . 20.1 m -51.68 139.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 49' ' ' SER . 3.1 pt-20 -89.79 -30.85 17.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 3.0 m -174.33 178.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 81.8 m-85 -116.36 133.28 56.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -103.46 122.16 44.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.576 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -104.34 93.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -83.43 115.34 22.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -128.46 148.16 50.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -172.16 146.97 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 164.67 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.68 80.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -63.56 -39.79 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.42 170.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -119.46 167.15 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.86 -30.22 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 11.8 pt-20 -67.28 -32.99 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -102.41 15.92 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.28 131.79 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.73 -179.6 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -160.06 136.48 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.87 126.15 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.94 118.42 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 m -125.9 152.66 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.2 t -48.2 147.35 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -64.26 -23.91 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -69.84 -13.37 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.63 96.23 10.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 12.3 m-85 -53.77 -22.27 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.6 p -145.24 166.53 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -131.33 175.96 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.1 ttp-105 -125.87 132.08 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 52' ' ' ILE . 72.6 mt -101.53 143.55 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -140.11 162.82 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 71.28 51.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -114.26 157.05 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.44 142.03 39.93 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.592 0.711 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.5 Cg_endo -69.77 139.74 40.91 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.377 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' LYS . 32.7 t70 51.97 44.26 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.3 m -125.45 136.18 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -76.27 125.01 28.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -125.78 126.26 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -89.41 91.92 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -80.58 144.68 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 30.9 tt0 -150.0 125.29 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG11 ' CD2' ' A' ' 39' ' ' TRP . 69.7 t -104.04 118.13 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.29 120.57 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -71.02 152.94 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.6 t -152.54 134.1 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.543 ' HB2' HD12 ' A' ' 46' ' ' ILE . 7.8 t30 -100.85 138.61 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.6 t -42.83 -24.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -92.34 -71.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.99 164.08 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.07 155.54 23.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.63 171.15 13.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.22 59.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 54.6 Cg_endo -69.68 151.92 69.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.0 p -72.88 177.08 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.91 144.26 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.1 ttm -66.61 116.33 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 25' ' ' VAL . 19.9 mt -109.92 151.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.63 134.53 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.31 153.74 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.36 109.53 11.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 45.4 p -72.86 -178.47 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASP . 6.4 mmpt? -107.44 -178.32 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.28 131.93 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.06 138.31 12.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.9 Cg_endo -69.79 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -97.11 -35.13 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' OE1' HD21 ' A' ' 43' ' ' LEU . 7.3 tp10 -92.76 146.9 23.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.18 148.53 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.72 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -95.75 -179.46 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.72 ' H ' HG22 ' A' ' 23' ' ' THR . 42.9 mt-10 46.96 39.51 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.7 t -76.65 159.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.533 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -132.98 168.06 23.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.61 126.11 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 35' ' ' ILE . 21.1 tptt -103.51 144.2 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 98.8 t -108.3 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.32 -48.04 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -150.21 -176.7 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -62.24 -34.07 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -118.1 26.59 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.766 HD12 HD13 ' A' ' 81' ' ' LEU . 58.4 mt -139.79 124.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.12 149.36 21.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 91' ' ' VAL . 21.4 t -131.44 107.9 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -105.67 116.56 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -114.69 178.13 4.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -102.86 138.16 40.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.686 ' CG ' ' CE1' ' A' ' 74' ' ' TYR . 9.4 m170 -69.02 127.45 33.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 44' ' ' GLU . 22.9 m -74.57 137.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 44' ' ' GLU . 1.1 pp -41.57 -33.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.4 mt-10 -85.51 126.02 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -103.26 8.17 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -76.79 -4.92 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 m -64.52 141.43 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.05 -54.05 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 p -168.32 156.41 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.3 m-85 -92.37 130.71 37.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -112.28 128.11 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.936 HG13 HG22 ' A' ' 91' ' ' VAL . 4.8 mp -103.82 89.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 8.9 ttp-105 -75.67 118.71 18.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -129.95 145.14 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 13.4 p90 -164.45 148.34 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.71 150.51 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.2 -41.43 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -73.6 -36.96 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 6.8 m-20 -54.49 162.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -106.74 165.0 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -61.72 -33.22 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -66.67 -44.99 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.45 9.03 16.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.17 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -79.49 177.42 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -162.52 133.39 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.41 125.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 50' ' ' TYR . 1.6 tp-100 -109.52 117.71 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.3 -179.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.2 p -68.31 141.72 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -56.48 -26.82 55.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.01 -26.36 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.12 100.55 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.686 ' CE1' ' CG ' ' A' ' 41' ' ' HIS . 15.0 m-85 -63.95 -17.15 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.8 p -143.01 164.38 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.77 158.45 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.17 136.31 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 mt -109.01 136.05 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 53.6 mt-10 -131.11 160.38 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 79' ' ' GLU . 2.1 m-80 74.96 48.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 35' ' ' ILE . 27.3 mt -110.85 160.16 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -86.14 143.38 37.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.6 Cg_endo -69.79 145.99 58.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.9 t70 40.53 52.42 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.6 m -133.62 129.94 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.65 129.65 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -129.17 126.1 38.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 47.1 m-85 -86.18 100.11 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 52' ' ' ILE . 49.9 mt -98.41 139.39 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.37 124.6 12.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 HG13 ' A' ' 52' ' ' ILE . 94.2 t -106.84 120.64 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.01 134.15 6.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.809 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -86.46 135.6 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.5 t -158.32 136.64 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 21.5 p30 -109.2 159.9 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -60.74 -13.23 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.51 -72.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.84 146.39 17.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.4 t -78.67 146.55 33.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -127.89 149.9 18.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 135.09 29.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 165.55 30.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.3 p -77.11 -178.88 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.46 134.08 55.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.9 113.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 25' ' ' VAL . 34.9 mt -108.39 140.52 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.75 134.9 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -121.34 154.78 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -129.92 107.43 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.597 ' CG2' HD11 ' A' ' 35' ' ' ILE . 50.5 p -66.4 -177.29 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -108.72 167.06 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -68.62 136.03 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.85 143.13 15.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.42 23.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -116.45 -16.59 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -99.82 136.94 38.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 148.46 35.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -77.36 -179.35 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 23' ' ' THR . 2.4 pt-20 35.83 51.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.89 117.45 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.2 175.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 HG13 ' A' ' 37' ' ' VAL . 27.6 m -131.84 129.53 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 111.109 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -102.23 130.36 48.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t -81.67 126.88 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.886 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.6 mt -98.36 -57.3 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -148.35 174.29 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -53.89 -31.05 48.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -121.53 28.63 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -146.4 140.4 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 81' ' ' LEU . 62.9 mt -155.2 135.6 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.886 ' OG ' HD11 ' A' ' 30' ' ' LEU . 73.5 m -110.89 138.26 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.638 HG11 ' CG2' ' A' ' 91' ' ' VAL . 45.8 t -115.58 108.87 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -102.37 136.44 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.432 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 45.2 p90 -146.34 167.7 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -88.51 144.39 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 6.9 m170 -80.88 129.38 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.71 142.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.98 -17.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.0 116.87 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.61 7.45 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.24 -16.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -56.36 135.02 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -71.07 -53.15 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -165.31 173.24 11.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 55.8 m-85 -105.71 103.05 12.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -79.12 132.47 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -116.66 114.32 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.8 ttp180 -102.73 109.59 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.2 p90 -118.36 136.6 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 53' ' ' ARG . 33.0 p90 -157.81 146.77 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.1 146.35 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.24 -44.85 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 26.8 p80 -66.37 -47.58 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 6.0 m-20 -51.57 172.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -116.67 159.17 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -57.18 -25.28 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.11 -41.55 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.3 17.22 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.6 129.96 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 7.2 m-80 -67.07 145.83 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 24.0 mtm105 -117.83 124.61 48.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 54' ' ' TYR . 68.0 t -134.26 106.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -99.33 141.91 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 m -125.26 179.8 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -76.28 160.25 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -78.47 -7.28 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.28 -1.6 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -103.62 105.55 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 10.1 m-85 -63.09 -9.58 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 5.7 p -153.67 156.86 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.98 -178.4 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 9.8 ttp-105 -137.41 144.16 42.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.9 mt -125.84 143.75 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -141.81 168.69 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.27 46.53 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 35' ' ' ILE . 14.0 mt -108.26 159.36 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.93 143.75 43.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.865 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.72 154.55 67.76 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 1.4 p-10 37.6 47.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -129.32 140.79 51.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -81.75 142.41 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -141.21 122.85 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -85.69 102.68 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 37' ' ' VAL . 51.6 mt -92.96 134.55 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -131.58 122.34 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.638 ' CG2' HG11 ' A' ' 37' ' ' VAL . 54.4 t -116.49 113.94 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.55 123.14 2.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.73 139.17 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 t -167.71 136.8 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -103.01 173.73 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -70.31 -24.28 62.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.74 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.03 151.36 17.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 90.3 m -83.5 122.76 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.84 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.94 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.21 54.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.3 p -70.52 -178.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.17 162.99 28.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttm -75.12 117.17 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.591 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -110.61 142.4 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -115.01 144.93 42.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.79 153.8 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.33 106.74 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 35' ' ' ILE . 54.2 p -67.66 161.98 24.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -74.09 162.68 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -73.78 131.92 42.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.865 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.12 136.49 10.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.82 28.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -120.65 -22.47 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' OE2' HD23 ' A' ' 43' ' ' LEU . 19.0 tt0 -94.53 138.64 32.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.26 148.82 37.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.1 m -94.92 171.11 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.577 ' H ' HG22 ' A' ' 23' ' ' THR . 31.4 mt-10 61.08 33.86 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 106' ' ' ILE . 7.3 p -89.0 126.6 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.19 -177.85 15.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 37' ' ' VAL . 31.1 m -145.72 125.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' HD23 ' A' ' 30' ' ' LEU . 3.3 tmtm? -113.66 125.52 54.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HA ' ' A' ' 110' ' ' THR . 48.8 t -86.38 122.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.477 HD23 ' CD ' ' A' ' 28' ' ' LYS . 4.2 mt -92.35 -46.61 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.6 -178.05 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -59.76 -36.36 76.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.5 t -116.32 15.31 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -128.24 137.93 52.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 110' ' ' THR . 26.3 mt -156.2 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 m -126.35 137.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.495 HG21 HG21 ' A' ' 89' ' ' ILE . 38.1 t -121.57 112.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -108.46 136.46 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.1 p90 -138.41 -178.37 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.01 132.0 53.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -62.17 136.51 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG21 HG11 ' A' ' 47' ' ' VAL . 33.7 m -83.83 169.47 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -80.02 -9.49 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.8 mp0 -82.96 108.36 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -15.07 57.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.541 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.3 pp -75.86 -16.21 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.2 m -53.01 115.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.05 -51.78 65.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.33 179.71 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.6 m-85 -111.78 104.16 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' CD ' ' O ' ' A' ' 92' ' ' GLY . 18.3 pm0 -80.14 144.68 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.781 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -122.82 89.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -75.15 126.19 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.88 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.2 p90 -156.74 146.55 20.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.11 146.46 47.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.71 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 24.8 p80 -66.74 -41.23 88.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 2.6 m-20 -51.37 174.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.84 171.77 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.8 13.2 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -113.11 -30.45 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.44 17.25 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.82 132.87 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -80.47 -177.86 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -155.02 115.36 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -98.99 112.9 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -101.45 123.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -128.09 155.33 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 73' ' ' GLU . 10.2 t -45.11 136.84 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -52.67 -35.23 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -54.99 -43.42 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.626 ' H ' HG23 ' A' ' 70' ' ' THR . 6.1 mm-40 -54.42 113.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.89 -12.62 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 p -148.53 165.57 30.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.87 172.3 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -132.18 150.43 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 81' ' ' LEU . 48.2 mt -119.33 146.93 44.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -138.07 166.22 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.76 53.41 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 78' ' ' LEU . 9.4 mt -117.76 145.87 44.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.0 148.2 78.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 150.83 69.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 110' ' ' THR . 33.2 t70 41.44 54.25 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.6 m -129.23 123.49 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -69.15 117.29 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -119.97 118.89 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -79.71 102.0 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 HG21 ' A' ' 37' ' ' VAL . 28.5 mt -94.58 136.7 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' CD ' ' C ' ' A' ' 89' ' ' ILE . 19.0 mp0 -141.0 123.59 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.781 HG22 HG13 ' A' ' 52' ' ' ILE . 47.5 t -116.21 113.39 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' CD ' ' A' ' 51' ' ' GLN . . . -140.08 125.05 2.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.746 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -65.23 133.7 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 t -158.62 133.57 8.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.632 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 33.5 p-10 -108.22 150.86 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -47.85 -39.87 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.632 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -55.19 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.94 153.23 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.8 m -102.83 125.65 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.66 160.18 14.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.32 42.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.8 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -77.74 177.73 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.89 144.43 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.1 ttm -70.77 103.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 25' ' ' VAL . 10.9 mt -100.29 151.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 2.3 pm0 -125.46 136.28 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.93 154.14 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.24 102.68 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.493 ' HA ' HG11 ' A' ' 29' ' ' VAL . 57.8 p -57.19 -175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -103.14 167.37 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -81.31 121.35 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -129.19 148.18 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 p -152.19 131.8 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.41 108.83 0.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -87.08 -59.73 2.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t 61.0 45.18 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 70.49 82.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -33.98 123.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.158 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.56 87.15 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -120.13 136.54 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -102.33 111.41 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -116.3 157.05 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -137.77 121.13 17.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -147.44 157.88 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -85.68 -42.96 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.573 ' HB2' HD13 ' A' ' 46' ' ' ILE . 9.7 p30 -144.37 172.45 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 143.66 12.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.73 135.56 30.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.605 2.203 . . . . 0.0 112.388 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 p -123.09 -20.2 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.21 143.37 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.66 148.85 37.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.89 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.671 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -87.47 176.3 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.671 ' H ' HG22 ' A' ' 23' ' ' THR . 41.6 mt-10 54.93 41.47 31.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' HIS . 12.4 p -91.43 129.31 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.37 147.99 19.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.718 HG12 HG22 ' A' ' 37' ' ' VAL . 2.1 m -112.31 137.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD2' HD23 ' A' ' 30' ' ' LEU . 11.8 tmtt? -114.0 127.36 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.49 101.2 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 28' ' ' LYS . 48.3 mt -73.59 -59.33 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -137.83 179.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -53.58 -40.27 65.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 m -118.19 18.58 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.655 HD11 HG22 ' A' ' 110' ' ' THR . 53.1 mt -152.74 141.82 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 t -108.41 140.31 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.718 HG22 HG12 ' A' ' 27' ' ' VAL . 36.0 t -120.87 107.79 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.0 m-70 -101.8 160.82 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.529 ' CD2' HG11 ' A' ' 91' ' ' VAL . 32.9 p90 -167.77 159.93 12.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -89.96 129.98 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -58.46 127.56 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 47' ' ' VAL . 27.9 m -67.14 154.65 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.45 -6.41 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.84 105.38 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -79.75 5.69 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.1 pt -83.16 -23.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.6 m -57.6 128.96 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.43 -49.58 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -157.44 -179.86 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.892 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 66.2 m-85 -116.28 124.44 50.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.38 114.44 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.2 mp -104.45 99.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 30.4 p90 -153.31 133.97 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -157.79 164.74 36.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.543 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -75.97 157.57 32.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB2' ' OE1' ' A' ' 86' ' ' GLN . . . -50.24 -39.11 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 17.4 p80 -72.72 -44.37 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -52.27 164.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -110.8 152.7 26.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -55.86 -27.74 53.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.22 -28.98 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.66 11.3 39.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.38 134.52 36.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 34.0 m-80 -58.4 174.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -141.63 129.98 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.9 t -122.49 102.17 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -98.8 108.95 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -112.62 150.89 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.7 p -45.28 136.32 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -13.14 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.2 -33.29 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.81 102.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.91 -18.44 13.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.9 p -146.17 170.12 17.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.08 178.65 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -134.63 140.59 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.0 mt -115.49 139.8 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -138.95 168.56 19.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.44 46.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.99 177.56 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.68 143.73 27.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.9 Cg_endo -69.78 145.67 57.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.3 t70 40.14 54.73 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.2 m -135.63 134.16 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 53.9 tt0 -70.87 128.05 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.95 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.36 110.68 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.633 HD13 HG11 ' A' ' 27' ' ' VAL . 21.0 mt -103.02 155.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 89' ' ' ILE . 31.6 tt0 -159.04 125.96 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' CD2' ' A' ' 39' ' ' TRP . 63.8 t -105.82 119.67 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.64 123.05 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -85.61 148.96 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 p -171.52 150.39 2.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.737 ' ND2' HD12 ' A' ' 46' ' ' ILE . 47.8 p30 -109.01 171.92 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -67.89 -12.43 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -83.01 -73.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.1 148.94 18.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.06 146.2 26.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -113.41 158.09 14.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.01 52.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 155.17 66.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 p -82.23 179.96 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.09 146.57 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.2 ttm -84.01 113.37 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -112.32 151.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -115.84 140.93 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.03 153.85 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.6 101.42 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.655 HG22 HD11 ' A' ' 35' ' ' ILE . 81.9 p -63.66 169.3 4.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -91.71 170.27 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -76.59 128.4 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -76.69 121.4 23.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 t -94.24 161.15 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.67 -173.34 14.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' SER . 54.2 Cg_endo -69.66 -7.04 20.01 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' PRO . 58.6 m -36.97 110.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.2 t -93.53 -47.47 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -164.57 167.72 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -101.0 170.07 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 -54.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -39.11 146.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -142.18 108.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.26 57.23 3.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 p -39.19 122.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.25 110.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -41.95 135.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.8 pt -80.55 172.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -97.07 146.71 24.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 p -137.22 169.51 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.41 134.93 47.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 7.9 pt20 -56.08 -48.48 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 56.4 m-20 -165.31 -178.15 4.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -168.58 143.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.33 50.55 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -122.84 -22.19 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -99.88 143.13 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.76 148.79 36.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.68 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -88.67 178.34 6.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.68 ' H ' HG22 ' A' ' 23' ' ' THR . 14.4 mt-10 56.38 40.92 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 106' ' ' ILE . 3.0 p -95.7 130.25 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.87 24.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.09 134.31 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -114.16 127.84 56.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 101.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.03 -61.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -146.18 177.98 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 p -57.78 -26.4 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.2 p -128.07 28.77 5.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 35' ' ' ILE . 20.2 mt-10 -148.34 136.83 21.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 81' ' ' LEU . 58.7 mt -152.12 144.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -112.17 130.39 55.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 45.0 t -113.59 103.27 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -98.69 143.68 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 42.0 p90 -150.61 164.57 35.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.79 143.09 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.482 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 11.5 m170 -72.58 133.26 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -86.18 143.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.0 -16.28 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.14 123.5 20.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -102.06 1.7 36.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 pt -95.86 -22.06 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.616 ' O ' HG23 ' A' ' 47' ' ' VAL . 28.2 m -44.03 113.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -58.47 -48.49 80.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 p -171.05 -179.74 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -113.51 120.5 41.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -97.76 109.02 21.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.39 84.37 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.11 118.72 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HE2' HG23 ' A' ' 67' ' ' VAL . 30.3 p90 -136.27 138.14 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.0 p90 -165.95 153.31 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -64.08 154.11 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.71 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' CE1' ' OD1' ' A' ' 59' ' ' ASP . 15.3 p80 -62.75 -39.76 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.525 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -57.66 164.14 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' NZ ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -104.43 168.25 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.99 -19.6 64.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -80.87 -30.55 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.14 16.59 22.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.92 136.65 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -106.81 153.46 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.563 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -135.57 158.63 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' HE2' ' A' ' 54' ' ' TYR . 44.4 t -122.22 102.28 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.68 129.96 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.5 177.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -63.33 135.26 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.5 m -54.31 -25.01 21.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.89 -32.82 74.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.31 111.02 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 21.4 m-85 -74.18 -3.41 29.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 80.6 p -162.08 169.96 20.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.33 173.73 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -137.36 129.53 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 81' ' ' LEU . 45.9 mt -103.72 151.37 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 -178.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.25 45.96 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 35' ' ' ILE . 79.3 mt -101.22 144.38 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.4 143.5 93.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.9 Cg_endo -69.75 152.02 69.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.346 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' PRO . 22.7 t70 35.34 53.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -128.0 132.76 49.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -76.75 109.55 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.56 121.17 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 54.2 m-85 -83.25 106.24 14.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 mt -100.27 140.19 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.5 125.08 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG11 ' CG ' ' A' ' 39' ' ' TRP . 73.1 t -107.59 98.33 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -128.38 130.42 6.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.52 149.19 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.4 t -172.2 139.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -109.39 172.6 6.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -70.75 -30.49 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -116.93 162.73 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.49 127.47 49.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.3 153.26 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.56 45.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.23 46.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.62 2.213 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -80.59 176.22 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.6 137.06 54.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 31.4 ttm -63.08 113.07 2.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 25' ' ' VAL . 32.1 mt -105.33 137.7 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 1.0 OUTLIER -112.67 142.17 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.45 154.83 46.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -132.38 108.5 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 p -69.46 166.05 19.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -83.13 171.88 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.69 125.67 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.51 -59.83 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -109.4 165.05 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.09 -175.6 15.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.78 24.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 m -66.65 -58.29 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -86.76 17.1 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -146.02 123.8 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -121.75 167.75 12.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.11 131.05 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -110.21 -37.67 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m 57.62 42.84 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.59 68.13 0.28 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.81 125.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.26 123.89 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.6 147.85 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.73 ' H ' HD12 ' A' ' 11' ' ' ILE . 5.1 mp -55.16 116.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -53.02 -48.76 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -82.44 100.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.86 147.1 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -88.41 -30.67 19.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -171.7 -175.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.02 143.15 10.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.531 0.682 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.75 135.29 30.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 t -125.12 -14.27 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -112.04 140.09 47.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.03 147.97 35.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.07 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.34 175.97 8.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.636 ' H ' HG22 ' A' ' 23' ' ' THR . 52.6 mt-10 56.33 49.38 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 106' ' ' ILE . 2.8 p -99.91 154.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -154.94 -178.55 29.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -140.81 120.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' ILE . 13.2 tptt -99.41 135.99 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.13 102.44 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -77.1 -54.35 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.2 m -145.82 172.58 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -53.01 -24.59 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.2 27.93 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.93 123.39 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 28' ' ' LYS . 23.6 mt -143.28 126.84 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.0 t -94.22 138.54 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 91.8 t -116.73 107.65 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -105.43 138.6 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.815 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.5 p90 -142.84 166.48 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.86 138.03 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 7.3 m170 -67.47 131.51 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.55 140.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.2 -18.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.81 100.47 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -80.19 4.82 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.3 pt -77.97 -16.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 47' ' ' VAL . 23.8 m -62.89 126.85 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.19 -41.76 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 p -165.67 174.47 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.667 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 51.8 m-85 -111.41 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -92.55 115.48 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 93.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -82.75 148.29 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 65' ' ' ASN . 29.6 p90 -155.67 134.17 11.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 11.1 p90 -162.53 163.7 27.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -73.8 146.34 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.49 -49.47 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 21.5 p-80 -60.62 -43.33 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 5.8 m-20 -57.84 173.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -115.3 150.63 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -54.07 -39.73 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 6.3 pt-20 -55.1 -45.96 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.44 14.13 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 61' ' ' GLU . . . -80.57 128.27 33.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 11.5 m-80 -53.02 149.0 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 18.9 mtm105 -120.45 123.99 44.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.55 112.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.36 121.53 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.405 HG21 ' HH2' ' A' ' 39' ' ' TRP . 31.7 m -117.77 160.91 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -53.65 138.11 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -56.01 -17.15 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -79.23 -30.73 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.24 105.45 2.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.7 m-85 -65.28 -18.08 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 24.9 p -146.95 160.3 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.54 -175.83 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -140.5 127.42 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.36 143.38 32.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.14 173.62 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 60.24 47.63 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 7.9 mt -106.9 171.07 7.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.4 143.49 26.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.7 Cg_endo -69.77 148.78 65.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 38.97 50.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.2 m -129.72 123.78 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.82 126.53 47.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 33.1 m-85 -90.15 102.77 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.16 147.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -148.78 126.74 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.815 HG11 ' CG ' ' A' ' 39' ' ' TRP . 42.5 t -106.57 116.32 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.06 131.43 4.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -88.71 154.24 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.1 p -173.07 145.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 46' ' ' ILE . 8.4 p-10 -109.89 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -72.04 -10.58 59.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.74 -71.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.88 158.57 14.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.65 132.38 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -104.95 152.19 17.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.23 47.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.47 60.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -79.31 -175.91 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.86 127.55 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 ttm -60.3 115.56 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 25' ' ' VAL . 18.9 mt -109.76 150.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -118.62 145.91 45.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -131.89 154.06 49.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -128.52 117.31 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.1 p -74.7 175.6 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -91.78 168.35 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.61 115.61 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -51.51 120.62 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -159.23 119.97 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.34 -157.9 24.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 89.08 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.5 m -80.02 102.23 9.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.1 p -133.53 134.08 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -72.79 111.29 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -61.07 -58.08 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.92 107.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -164.3 166.79 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -163.22 154.9 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.26 -162.25 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.83 126.46 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.89 165.64 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -166.25 137.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -95.31 92.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -39.48 133.57 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -160.04 171.12 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -132.93 140.83 48.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -56.83 -53.5 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -160.42 -176.77 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.16 148.42 14.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 54.4 Cg_endo -69.71 138.52 38.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -127.02 -36.72 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -94.08 146.04 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 144.54 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.63 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -79.91 -179.24 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 53.36 40.07 30.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 106' ' ' ILE . 4.6 p -94.83 106.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.189 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.36 176.45 18.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.502 ' O ' HG23 ' A' ' 27' ' ' VAL . 27.7 m -139.98 122.57 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.171 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -108.34 134.13 51.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.91 113.91 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 46.3 mt -83.49 -44.22 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 m -163.32 -179.63 6.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.1 p -49.54 -40.22 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -123.03 41.37 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 30' ' ' LEU . 28.0 mt-10 -152.91 122.78 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 110' ' ' THR . 20.8 mt -145.99 126.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -100.46 132.95 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.789 HG21 HG21 ' A' ' 89' ' ' ILE . 46.9 t -113.57 109.13 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -97.57 151.85 19.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -155.77 161.89 40.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -88.57 153.84 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.606 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.2 m170 -80.26 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.67 169.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.9 pp -76.39 -27.44 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 43' ' ' LEU . 16.1 mt-10 -88.49 115.34 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.89 6.69 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -77.06 -20.53 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' HB1' ' A' ' 93' ' ' ALA . 19.9 m -53.54 139.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.65 -50.55 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -167.61 174.12 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 76.9 m-85 -103.22 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.611 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -105.32 114.26 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -104.1 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -131.68 138.03 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -157.34 151.84 25.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' ASP . . . -69.91 141.03 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.52 -28.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -78.94 -32.94 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 56' ' ' ALA . 9.4 t0 -68.77 173.5 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -108.71 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.33 -18.41 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.65 -19.38 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.84 12.46 37.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.67 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.53 158.33 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.92 130.66 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.42 102.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -97.62 126.93 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.2 175.28 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 p -67.13 136.52 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.3 p -53.79 -17.1 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.77 -32.33 52.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.92 99.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 14.0 m-85 -61.27 -13.54 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 p -150.08 163.2 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.25 176.24 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.11 138.7 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.0 142.16 46.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -140.06 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 m120 64.27 33.7 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.33 151.24 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.52 145.52 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.53 65.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 39.82 48.93 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.8 m -132.02 126.49 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -58.53 142.62 48.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -145.83 118.97 8.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.51 109.81 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.789 HG21 HG21 ' A' ' 37' ' ' VAL . 16.1 mt -103.96 146.97 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -151.38 133.53 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 52' ' ' ILE . 32.4 t -113.41 138.6 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.5 128.71 3.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.29 133.7 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.9 p -167.44 158.19 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.813 ' ND2' HD13 ' A' ' 46' ' ' ILE . 34.6 p30 -110.8 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -67.16 -25.78 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -68.31 -70.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.29 159.95 13.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.79 152.88 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.433 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -124.97 161.15 19.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.14 39.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.16 69.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.1 p -73.29 166.24 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.56 148.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.2 ttm -74.41 117.11 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -106.75 140.57 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' CD ' ' O ' ' A' ' 107' ' ' GLU . 2.1 pp20? -114.25 138.83 49.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.27 157.6 39.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -134.91 101.33 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.614 HG22 HD11 ' A' ' 35' ' ' ILE . 67.4 p -57.33 173.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -96.23 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -79.16 134.47 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.64 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.4 p -49.55 177.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.26 -178.24 21.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -64.38 148.93 49.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -54.62 -44.85 73.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -135.12 140.52 45.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -94.89 129.24 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.11 74.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -164.22 136.61 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -138.21 175.55 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.92 -66.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 8' ' ' VAL . 33.3 m -61.16 124.3 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.54 130.31 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -78.11 127.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -119.84 110.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -48.48 128.89 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -114.89 169.62 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.87 154.73 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.73 -48.24 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.468 ' HB3' HD13 ' A' ' 46' ' ' ILE . 3.9 m-20 -156.32 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -165.05 145.98 6.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.3 Cg_endo -69.75 132.25 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.283 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -124.63 -1.09 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -122.8 145.34 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 146.89 35.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -92.6 171.82 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 57.06 41.59 27.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 106' ' ' ILE . 14.2 p -95.22 125.23 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.74 -179.67 16.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -137.17 119.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -104.09 125.63 50.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 109' ' ' PHE . 21.7 t -84.33 129.19 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.54 -46.24 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -147.45 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -71.27 -18.3 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -133.62 33.3 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -153.04 127.62 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -143.82 125.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -97.26 145.91 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 89' ' ' ILE . 30.4 t -126.98 132.75 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -119.48 148.95 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.6 p90 -159.12 161.11 36.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -93.18 143.28 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.505 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 23.5 m170 -67.27 130.33 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -71.32 160.14 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -87.04 113.09 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 2.35 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' ASP . 25.1 pt -77.15 -23.92 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 47' ' ' VAL . 22.3 m -55.21 125.13 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -77.22 -42.87 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -165.19 164.07 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.963 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 2.5 m-85 -103.08 139.51 38.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -108.0 128.32 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 91' ' ' VAL . 4.7 mp -109.64 91.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm105 -74.92 117.12 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -125.76 137.45 53.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -169.31 136.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 155.11 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.77 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.415 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 4.2 p80 -61.47 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 4.3 m-20 -52.89 173.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -122.65 153.81 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.76 -34.12 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.795 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -61.63 -40.16 93.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.795 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -94.54 14.23 21.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.97 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.23 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -137.56 137.07 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.94 101.55 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.88 129.01 35.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.02 155.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.603 HG23 ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -50.3 146.17 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -67.89 -3.08 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -89.11 -8.91 52.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.603 ' HG2' HG23 ' A' ' 70' ' ' THR . 6.4 mm-40 -91.15 116.45 28.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 20.0 m-85 -80.35 7.88 8.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.7 p -164.77 177.82 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.56 -175.6 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -147.78 145.8 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -120.13 153.34 36.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -144.58 174.18 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 56.5 51.09 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 87' ' ' TYR . 32.4 mt -110.46 159.18 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.7 mt -83.35 141.64 42.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.3 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 12.2 t0 52.48 50.42 18.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 92.1 m -137.44 132.53 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -73.32 120.76 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' CD2' HD22 ' A' ' 81' ' ' LEU . 16.7 m-85 -114.18 107.48 15.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -67.04 115.73 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 37' ' ' VAL . 27.3 mt -113.0 141.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -147.65 118.56 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG22 HG13 ' A' ' 52' ' ' ILE . 85.6 t -94.85 120.05 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.61 120.96 2.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -86.97 136.8 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 p -166.45 159.2 14.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -111.01 167.55 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 t -59.49 -25.89 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.3 157.71 15.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.6 p -101.26 153.94 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -121.1 162.71 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.521 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.5 54.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 158.89 55.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.0 p -83.69 174.31 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD1' ' CG1' ' A' ' 25' ' ' VAL . 7.2 p-10 -47.36 128.92 12.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.1 ttm -62.84 108.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.587 ' CD1' HG13 ' A' ' 25' ' ' VAL . 11.2 mt -105.99 146.3 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.85 127.53 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -110.14 148.9 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.545 ' O ' HG21 ' A' ' 29' ' ' VAL . 7.7 m-85 -117.05 128.05 54.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.6 p -89.9 167.78 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -82.66 169.87 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 113' ' ' ALA . 4.1 mmmm -87.26 99.31 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -35.37 140.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.7 p -172.82 151.13 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.85 154.13 8.19 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -24.43 29.96 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t -84.07 -48.75 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -118.17 156.2 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -128.38 147.67 50.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.815 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -119.39 143.39 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.94 164.31 13.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -83.53 91.87 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -74.83 118.05 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.38 148.99 20.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.22 128.93 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.97 116.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.31 128.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 pt -63.95 -23.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -113.56 129.52 56.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -105.94 175.57 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -87.63 144.06 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.96 -53.99 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.695 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.8 p30 -131.8 177.12 7.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.61 148.92 10.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.55 0.691 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HG3' ' CB ' ' A' ' 94' ' ' CYS . 53.9 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.6 p -117.67 -40.26 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 10.3 tt0 -92.4 151.71 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -112.13 149.0 40.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.24 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.693 ' H ' HG22 ' A' ' 23' ' ' THR . 30.0 mt-10 58.56 26.79 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 106' ' ' ILE . 8.9 p -77.0 147.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.55 174.26 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 37' ' ' VAL . 33.3 m -147.4 132.97 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' ILE . 3.8 ptmt -111.34 160.57 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.79 90.18 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 28' ' ' LYS . 38.2 mt -67.69 -46.53 72.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -146.78 -176.33 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -72.55 -12.57 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 t -125.84 -23.75 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 19.1 mt-10 -96.41 146.64 24.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 28' ' ' LYS . 35.8 mt -160.33 128.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 5.5 t -102.48 144.46 30.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.778 HG21 HG21 ' A' ' 89' ' ' ILE . 51.0 t -131.48 109.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -99.33 140.23 33.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CH2' ' C ' ' A' ' 75' ' ' SER . 49.6 p90 -138.98 176.93 8.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.12 130.98 54.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 71' ' ' SER . 4.5 m170 -58.79 136.47 57.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 44' ' ' GLU . 30.7 m -79.01 138.92 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.6 pp -44.68 -24.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.597 ' OE1' HD11 ' A' ' 46' ' ' ILE . 8.4 mt-10 -90.6 109.63 20.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -87.03 10.13 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' ASP . 14.4 pt -75.9 -21.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.44 148.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.6 pt-20 -89.64 -38.02 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 t -170.53 159.72 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.948 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 88.4 m-85 -96.47 111.69 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.26 139.32 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.513 ' O ' HG22 ' A' ' 52' ' ' ILE . 3.4 mp -122.39 90.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 52.2 ttm-85 -73.38 123.77 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 10.4 p90 -135.07 141.8 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 21.7 p90 -171.45 151.32 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 148.23 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.51 -50.7 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -62.53 -40.79 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -53.06 159.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -105.13 157.73 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -54.11 -36.11 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.79 -23.16 66.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.78 9.22 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.3 129.22 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.442 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 5.6 m120 -98.56 137.25 37.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -110.69 124.14 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.31 114.12 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.31 151.84 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' THR . 19.2 m -136.48 148.07 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' VAL . 24.9 p -34.29 146.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 61.2 p -62.84 -26.15 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.83 -25.58 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -77.96 118.61 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 11.1 m-85 -87.87 18.98 3.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.589 ' C ' ' CH2' ' A' ' 39' ' ' TRP . 24.4 p -165.37 178.58 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.38 176.47 8.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -148.14 127.25 12.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.0 mt -106.75 146.66 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.64 159.59 41.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.2 m120 64.5 54.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.58 165.54 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.61 140.71 29.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.39 65.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 13.6 t70 43.65 49.04 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.4 m -126.16 126.01 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -68.95 106.27 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -105.62 122.03 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.91 96.78 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 37' ' ' VAL . 21.4 mt -90.93 137.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 18.5 tt0 -146.04 120.4 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 39' ' ' TRP . 58.9 t -92.76 136.98 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.79 128.39 3.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.948 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -104.46 142.38 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . 6.1 p -173.58 164.37 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' OD1' ' A' ' 16' ' ' ASP . 51.1 p-10 -110.98 174.38 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -65.3 -32.39 74.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -59.06 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.96 162.73 13.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.8 m -96.56 158.69 15.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -125.21 155.72 18.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.64 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.5 Cg_endo -69.74 152.63 69.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.3 p -79.16 174.93 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.97 118.99 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.4 ttm -62.39 108.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.408 ' CD1' HG13 ' A' ' 25' ' ' VAL . 16.4 mt -101.79 145.59 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.45 137.23 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.89 153.45 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.78 106.4 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.612 HG22 HD11 ' A' ' 35' ' ' ILE . 40.6 p -67.13 176.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -95.41 169.73 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -81.9 117.57 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.75 115.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.4 t -81.24 132.78 35.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.72 -166.27 41.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.39 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.357 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -94.83 160.47 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.1 p -127.02 156.76 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -123.87 145.76 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -140.9 158.75 43.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 118.49 6.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 97.2 p -71.66 110.93 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.8 t 36.7 44.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.32 51.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -122.28 128.94 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.23 139.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -103.76 164.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 pt -94.78 27.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -142.51 114.85 8.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.0 p -64.54 153.72 38.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.29 170.23 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -124.75 -44.6 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -155.63 -176.05 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.42 145.19 22.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.677 ' HD3' HD22 ' A' ' 95' ' ' ASN . 53.4 Cg_endo -69.81 131.9 22.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -114.55 -32.14 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.31 141.43 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.89 148.84 55.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -100.09 177.42 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' THR . 64.8 mt-10 52.53 39.19 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.685 HG22 ' CB ' ' A' ' 39' ' ' TRP . 14.0 t -71.32 159.1 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -125.96 152.66 18.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.24 122.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -106.82 131.38 53.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.98 86.99 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.24 -54.23 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -154.46 -177.45 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 -39.32 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.0 p -120.47 41.39 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.83 118.24 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 81' ' ' LEU . 78.9 mt -138.71 130.38 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 44.1 t -96.56 148.46 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CG2' ' A' ' 91' ' ' VAL . 25.9 t -128.76 98.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 8.4 m-70 -100.54 121.63 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CH2' HD11 ' A' ' 52' ' ' ILE . 46.7 p90 -117.89 -175.09 2.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -107.74 131.17 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CD2' ' CD2' ' A' ' 74' ' ' TYR . 5.5 m170 -60.11 136.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -93.08 141.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -51.97 -22.9 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.4 107.52 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -87.11 5.57 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.6 pt -78.62 -25.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.518 ' CG1' ' HB1' ' A' ' 93' ' ' ALA . 20.2 m -51.74 133.28 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -85.74 -37.94 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.9 p -163.86 164.01 23.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 52' ' ' ILE . 85.4 m-85 -105.9 110.02 22.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -81.37 124.24 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.75 HD11 ' CH2' ' A' ' 39' ' ' TRP . 4.3 mp -112.06 98.42 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.53 166.07 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.0 p90 -175.2 135.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.6 p90 -167.26 165.85 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.649 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -77.52 150.84 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.54 -34.28 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.649 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 22.5 p80 -74.25 -38.97 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -62.41 161.07 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -102.9 159.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -61.51 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.17 -33.34 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.55 13.61 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.48 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 36.9 m-80 -80.57 159.58 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -152.91 149.94 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.0 t -115.82 131.59 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.14 103.28 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.47 176.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.7 p -66.19 131.08 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -49.17 -26.61 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -66.75 -33.92 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.13 102.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CD2' ' CD2' ' A' ' 41' ' ' HIS . 13.0 m-85 -55.89 -26.07 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.0 p -139.94 170.08 16.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.35 -177.48 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.5 ttp-105 -137.14 143.19 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.5 mt -116.47 149.64 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.67 168.83 18.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.7 m120 66.29 46.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD13 HD12 ' A' ' 35' ' ' ILE . 5.3 mt -110.51 157.47 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.18 144.23 46.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.8 Cg_endo -69.74 152.22 69.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' PRO . 24.8 t70 35.76 51.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.9 m -132.26 138.93 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.59 130.79 42.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -135.44 114.82 12.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 72.4 m-85 -82.82 106.64 14.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 37' ' ' VAL . 16.8 mt -98.04 136.11 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.07 133.33 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 37' ' ' VAL . 43.9 t -121.49 121.05 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.57 129.65 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -73.58 154.06 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.735 0.302 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.9 p -169.56 129.87 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.677 HD22 ' HD3' ' A' ' 18' ' ' PRO . 0.0 OUTLIER -109.45 156.83 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -52.05 -25.71 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -75.37 -74.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.97 149.86 17.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 159.72 18.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.84 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 160.47 49.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -75.94 -175.03 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -65.69 131.47 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.6 ttm -56.53 112.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.2 mt -108.28 140.84 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.6 137.85 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.97 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.8 112.04 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 49.3 p -67.4 171.42 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -95.11 173.03 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.97 117.64 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -59.76 93.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -162.59 145.0 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.88 175.88 22.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.63 26.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.661 2.24 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.2 p -62.42 101.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -96.62 153.79 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.424 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -159.83 122.21 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -128.28 153.79 46.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.05 147.83 17.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -105.53 146.07 30.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -105.35 42.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.44 82.45 0.13 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.55 128.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.58 25.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.27 153.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -120.38 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.3 134.74 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -97.68 98.24 9.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.56 140.46 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -80.84 -36.14 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' OD2' HG21 ' A' ' 46' ' ' ILE . 12.3 t0 -173.2 172.31 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -152.77 143.54 15.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.89 46.55 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -122.43 -27.91 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.84 146.15 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 148.96 37.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.75 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.56 -179.77 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.121 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.728 ' H ' HG22 ' A' ' 23' ' ' THR . 28.6 mt-10 51.04 38.16 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HD11 ' A' ' 106' ' ' ILE . 2.7 p -97.44 128.27 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -179.15 16.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 37' ' ' VAL . 22.1 m -138.41 130.87 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -111.94 128.15 56.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.98 113.74 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.76 -60.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 m -133.62 176.41 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -58.79 -24.45 61.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -128.74 29.95 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.9 mt-10 -146.78 131.14 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 110' ' ' THR . 53.4 mt -150.86 125.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -96.27 131.69 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG13 HG12 ' A' ' 27' ' ' VAL . 38.4 t -111.93 102.34 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -95.21 157.1 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.6 p90 -160.73 162.91 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -87.81 148.93 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 5.7 m170 -74.14 136.14 42.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -76.66 172.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 44' ' ' GLU . 4.6 pp -84.0 -24.19 30.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.1 pm0 -82.32 133.03 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -103.04 3.08 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG21 ' OD2' ' A' ' 16' ' ' ASP . 8.6 pt -76.59 -20.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 93' ' ' ALA . 17.1 m -54.37 158.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.6 -43.21 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 m -167.63 162.87 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 75.2 m-85 -98.68 110.12 22.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.52 101.41 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -87.41 95.36 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttm-85 -82.5 131.79 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -144.83 138.04 26.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -159.7 160.73 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.73 141.84 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 -39.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.472 ' CE1' ' OD1' ' A' ' 59' ' ' ASP . 30.2 p80 -72.2 -44.99 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.472 ' OD1' ' CE1' ' A' ' 58' ' ' HIS . 78.6 m-20 -53.79 157.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -103.44 160.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.96 -32.91 64.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 18.1 pt-20 -64.27 -47.71 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -86.73 17.92 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.32 131.3 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -100.2 144.66 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' C ' ' NE ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.69 171.53 12.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -133.48 102.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -79.88 101.15 8.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.1 m -100.36 166.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -61.31 134.12 56.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -51.18 -26.46 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.0 -33.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.3 111.02 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.6 m-85 -68.27 -16.61 64.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 m -146.62 172.14 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.11 169.11 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -129.45 125.93 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.12 151.55 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -152.47 176.72 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.2 m120 55.34 48.08 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 35' ' ' ILE . 25.7 mt -107.35 169.43 8.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.0 mt -93.96 143.71 26.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.37 60.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.8 t0 43.38 50.73 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 m -129.88 130.03 44.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -73.62 122.22 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -120.96 124.77 45.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.99 103.77 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 90' ' ' GLU . 23.8 mt -97.39 156.62 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 89' ' ' ILE . 6.2 pt-20 -160.05 140.61 11.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.614 HG22 HG13 ' A' ' 52' ' ' ILE . 97.4 t -128.73 107.01 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.56 122.42 3.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -60.18 125.34 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 t -151.32 134.9 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 12.3 p-10 -110.32 174.75 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t -69.47 -30.6 68.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.1 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.38 163.08 14.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.1 t -101.64 115.65 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.46 150.65 25.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 146.6 60.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.74 67.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.1 p -83.47 -176.72 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -54.59 116.57 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.1 ttm -58.49 103.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 25' ' ' VAL . 11.1 mt -98.95 139.6 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.22 148.72 32.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.2 152.34 48.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.99 103.51 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.74 HG22 HD11 ' A' ' 35' ' ' ILE . 72.2 p -66.36 170.26 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -90.93 170.2 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -82.72 129.7 35.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.78 128.83 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -115.54 153.36 31.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.61 143.22 13.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.85 7.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.9 p -107.42 96.43 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 p -110.28 159.64 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -133.33 121.96 23.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -67.73 162.47 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.3 -137.95 5.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 m 45.73 42.63 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.817 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -74.65 157.91 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.78 80.08 1.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.1 t -78.96 117.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.91 117.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.5 t -150.93 139.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 mt -56.24 134.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -68.23 -58.74 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m 59.98 44.87 12.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.59 129.07 40.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -57.28 -53.75 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 4.0 m-20 -161.36 160.22 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.76 141.62 39.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.52 35.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -124.47 -24.18 4.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -103.99 131.68 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.78 149.04 38.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.611 0.72 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 100.93 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.6 177.52 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 23' ' ' THR . 15.0 mt-10 56.96 43.8 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.07 134.09 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.37 -170.93 12.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 27' ' ' VAL . 32.4 m -148.87 123.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 35' ' ' ILE . 17.7 tptt -98.62 146.81 25.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 111' ' ' LYS . 84.9 t -105.51 94.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 76.6 mt -69.66 -54.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -157.51 -174.98 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -52.28 -43.94 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.453 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 47.3 m -117.82 39.9 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 33' ' ' SER . 45.3 mp0 -151.41 125.83 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 28' ' ' LYS . 82.5 mt -150.0 134.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -101.34 142.37 32.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG21 HG21 ' A' ' 52' ' ' ILE . 60.5 t -117.39 97.22 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -92.25 142.04 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HB2' ' A' ' 50' ' ' TYR . 29.6 p90 -149.81 163.9 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -90.1 136.15 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -64.7 133.85 52.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.58 158.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.0 pp -67.5 -26.28 66.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 5.6 mm-40 -80.55 98.99 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.14 0.04 29.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.8 pp -77.07 -16.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 93' ' ' ALA . 18.4 m -51.54 147.78 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -84.35 -47.35 10.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -173.39 162.4 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 52' ' ' ILE . 95.8 m-85 -91.92 107.49 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -78.56 118.31 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.787 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -102.43 95.86 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -86.79 124.76 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.549 ' HE1' HG23 ' A' ' 67' ' ' VAL . 22.7 p90 -140.77 136.19 32.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.4 p90 -160.03 158.85 31.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.817 ' HB1' ' CE1' ' A' ' 58' ' ' HIS . . . -64.77 145.97 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.58 17.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.817 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 16.1 p-80 -72.49 -41.25 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 1.9 m-20 -53.41 168.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -115.09 168.77 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -28.63 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -68.29 -29.01 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -103.7 15.12 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.03 134.59 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -91.77 158.77 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -137.55 134.95 36.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -109.02 92.05 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.34 105.83 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.14 159.78 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -51.29 135.16 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -55.21 -20.24 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -68.66 -26.15 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.19 96.48 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -49.98 -27.01 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -142.74 170.21 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.75 171.1 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -126.78 143.18 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 54' ' ' TYR . 26.5 mt -116.52 145.53 43.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -141.56 162.97 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.9 m120 69.06 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 35' ' ' ILE . 15.7 mt -105.32 144.16 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.15 143.97 96.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.73 154.49 67.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.7 t0 34.53 48.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -127.15 138.65 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.62 125.68 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.45 118.64 27.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -79.55 96.52 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 108' ' ' ALA . 36.3 mt -86.98 149.6 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -158.99 126.66 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.787 HG22 HG13 ' A' ' 52' ' ' ILE . 76.1 t -114.65 127.42 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.73 120.75 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -77.79 122.29 25.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.6 t -153.76 140.22 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.658 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 35.3 p-10 -104.12 172.36 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.3 t -70.45 -28.18 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -62.7 -72.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.03 159.71 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.98 129.86 40.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.17 151.82 17.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.536 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.56 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.55 21.27 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.2 p -88.62 -174.75 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.67 143.34 57.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.5 ttm -74.73 109.64 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -103.95 150.62 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -117.5 144.64 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 89' ' ' ILE . . . -123.97 154.03 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -132.1 105.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 35' ' ' ILE . 65.2 p -68.1 172.23 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 29' ' ' VAL . 11.7 mmtp -92.52 167.67 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -74.63 132.82 42.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.75 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.0 p -142.83 148.69 37.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -177.53 -174.75 44.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -10.82 29.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.0 t -74.37 138.31 43.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -154.46 144.01 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.435 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p 45.85 42.1 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -85.7 144.32 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.05 130.7 2.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -80.16 170.22 16.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.942 0.401 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -128.94 144.89 51.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.64 3.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.86 -39.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.73 120.33 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -76.95 130.67 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 42.2 pt -85.91 43.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.55 -50.01 75.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.3 p -64.28 -9.2 16.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . . . -99.03 132.47 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -77.62 -47.64 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -151.13 179.94 7.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.86 148.42 17.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.73 136.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -124.41 -21.0 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.88 139.15 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 148.99 35.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.79 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -81.47 174.9 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' H ' HG22 ' A' ' 23' ' ' THR . 19.7 mt-10 56.44 39.23 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 25' ' ' VAL . 11.6 p -95.56 116.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.65 168.15 23.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.671 HG12 HG22 ' A' ' 37' ' ' VAL . 27.8 m -122.25 139.88 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -117.44 128.79 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.74 107.31 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.81 -49.07 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -152.96 176.76 11.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -54.29 -33.31 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -125.46 30.15 5.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -141.94 121.4 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 110' ' ' THR . 57.9 mt -144.7 124.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -102.3 141.4 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 27' ' ' VAL . 26.0 t -120.03 113.13 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -100.98 150.95 22.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 p90 -157.18 160.76 39.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.09 131.86 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.33 129.63 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.87 143.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.86 -21.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' VAL . 8.3 mm-40 -70.67 92.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -14.08 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.456 HD12 ' ND2' ' A' ' 95' ' ' ASN . 23.4 pt -75.53 -23.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 47' ' ' VAL . 18.6 m -51.11 114.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.89 -58.45 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' OE1' ' A' ' 68' ' ' GLN . 2.8 p -161.33 167.88 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.929 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 59.7 m-85 -100.7 115.19 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -88.21 124.92 34.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 91' ' ' VAL . 5.4 mp -106.65 108.32 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -92.87 138.83 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.83 138.12 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -162.78 142.4 9.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -54.43 148.67 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.91 66.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.434 ' CE1' ' OD2' ' A' ' 59' ' ' ASP . 16.0 p80 -75.55 -33.07 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 6.8 m-20 -66.06 169.45 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.58 161.04 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -65.34 -19.5 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -71.55 -35.36 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.46 16.69 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.97 133.64 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -88.74 154.32 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.08 146.68 41.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.17 124.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 68' ' ' GLN . 1.7 pp0? -100.87 167.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 68' ' ' GLN . 19.0 m -149.78 167.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -57.45 141.13 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.1 p -58.85 -13.24 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -86.7 -16.31 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.94 103.27 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.87 -4.74 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -155.92 158.18 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.01 171.86 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -128.21 141.04 51.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -116.38 145.42 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -145.42 165.02 29.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.57 42.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.58 176.32 5.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.2 mt -102.0 144.64 29.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 134.19 27.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 15.8 t0 52.17 48.53 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.6 m -126.55 138.98 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.48 121.88 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.3 106.35 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.606 HG21 HG21 ' A' ' 37' ' ' VAL . 17.2 mt -100.0 137.75 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -150.16 129.53 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 52' ' ' ILE . 87.4 t -102.16 140.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.22 122.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.929 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -95.47 130.76 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.28 154.4 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' HD12 ' A' ' 46' ' ' ILE . 43.5 p-10 -111.0 161.1 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -54.76 -16.0 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.43 -73.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.34 150.48 17.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 21.9 p -83.4 151.05 25.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -120.51 155.62 16.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.66 40.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.46 40.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -56.71 -178.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 144.2 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.97 105.47 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 mt -105.36 140.08 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -109.15 134.98 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -119.25 153.19 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -129.97 110.5 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.745 HG22 HD11 ' A' ' 35' ' ' ILE . 76.9 p -70.14 162.52 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -82.24 170.74 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 113' ' ' ALA . 36.1 mttp -73.69 91.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . 34.18 36.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' LYS . 1.6 t -66.64 126.61 29.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.08 177.22 21.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.74 48.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.4 p -134.59 123.84 24.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 m -58.85 136.24 57.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -123.81 161.72 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -160.04 172.11 18.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 73.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -109.38 120.06 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -87.73 113.04 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.66 71.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.31 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.087 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.5 121.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.1 t -87.57 120.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mt -51.55 119.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -136.36 154.85 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.4 m -149.02 160.82 42.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.97 148.29 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -60.9 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -171.08 -179.41 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -142.21 145.01 33.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.51 42.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 m -123.88 -17.77 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.1 tt0 -103.93 146.23 28.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.46 146.3 34.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.49 3.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.3 m -97.37 172.58 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' THR . 27.6 mt-10 62.62 37.96 12.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 p -96.62 121.53 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.39 163.91 21.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 108' ' ' ALA . 27.9 m -121.14 120.87 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.0 ttpt -98.43 139.06 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.53 105.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -78.45 -57.6 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -150.65 178.18 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.4 p -52.28 -31.48 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -126.13 34.55 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' C ' HG13 ' A' ' 35' ' ' ILE . 53.8 mm-40 -148.59 136.36 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.739 HD11 HG22 ' A' ' 110' ' ' THR . 44.0 mt -156.84 124.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -98.57 135.75 39.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 89' ' ' ILE . 26.2 t -115.96 110.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -103.76 142.48 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.8 p90 -144.25 169.41 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 5.7 tp10 -91.65 151.99 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.593 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 10.1 m170 -80.13 131.58 35.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.8 m -81.09 148.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -57.75 -14.36 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.0 mm-40 -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.65 4.04 50.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 1.002 HD12 ' ND2' ' A' ' 95' ' ' ASN . 8.6 pt -78.34 -24.1 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.609 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.1 m -50.81 112.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 49' ' ' SER . 22.1 pt-20 -51.2 -49.03 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 85.7 p -169.91 171.43 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 84.8 m-85 -104.27 109.08 20.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.85 119.03 29.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.437 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.3 mp -102.86 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 16.9 ttp-105 -88.76 130.31 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 67' ' ' VAL . 1.5 p90 -139.28 147.8 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 16.4 p90 -169.68 148.34 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 147.97 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.17 -29.95 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -80.73 -37.04 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.11 159.25 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -103.51 167.79 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.58 -26.15 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.76 -38.75 80.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.95 2.55 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.05 140.65 57.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -88.52 -177.26 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -164.91 122.63 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 54' ' ' TYR . 61.1 t -105.29 122.78 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 141.1 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.6 m -139.78 170.39 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -67.29 139.02 57.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.1 p -52.26 -18.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -75.05 -33.45 61.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.88 102.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 18.8 m-85 -62.24 -14.27 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.5 p -146.98 179.24 7.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.79 174.31 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -131.14 139.56 49.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -111.35 134.25 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -133.4 162.45 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.73 53.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -111.23 175.45 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.93 143.2 26.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 139.85 40.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.4 t0 46.89 54.9 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.3 m -137.39 133.52 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.706 ' NE2' ' CD1' ' A' ' 109' ' ' PHE . 0.0 OUTLIER -70.82 136.05 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -134.03 120.0 19.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.8 104.52 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 37' ' ' VAL . 13.1 mt -100.17 140.75 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -144.35 130.33 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 39' ' ' TRP . 70.0 t -115.11 110.34 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.34 128.53 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.598 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.12 130.65 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.5 t -156.43 134.32 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 1.002 ' ND2' HD12 ' A' ' 46' ' ' ILE . 41.9 p-10 -104.9 150.84 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -51.17 -23.76 3.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.67 -74.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -110.6 163.66 12.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.57 144.75 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.45 149.61 19.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.6 33.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 160.33 50.11 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -72.44 -176.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.17 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 46.7 ttm -47.57 115.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.0 mt -110.19 144.18 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -113.06 150.38 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -140.91 150.68 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.706 ' CD1' ' NE2' ' A' ' 86' ' ' GLN . 11.5 m-85 -122.92 111.29 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.739 HG22 HD11 ' A' ' 35' ' ' ILE . 41.5 p -61.3 168.97 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.17 179.68 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -93.45 127.65 39.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.53 88.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.095 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -64.76 148.71 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.47 177.96 17.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 114.47 3.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p -84.71 4.44 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.3 m -122.48 94.57 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -116.66 167.87 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -83.42 135.02 34.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.31 177.02 17.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -93.75 170.13 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -146.2 142.42 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 79.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 p -102.43 141.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.89 109.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.3 m -62.19 119.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.24 163.69 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -147.25 160.94 41.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.5 t -148.71 114.58 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -162.31 162.02 27.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -84.2 -46.72 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -142.97 169.05 18.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -158.01 144.11 12.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.74 129.21 17.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -113.3 -22.61 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -111.06 156.39 21.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.78 147.61 66.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.63 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -97.24 169.4 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 23' ' ' THR . 27.8 mt-10 56.72 39.89 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 39' ' ' TRP . 12.9 t -70.13 157.2 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -123.61 154.43 17.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 37' ' ' VAL . 11.7 m -137.24 123.81 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' ILE . 19.7 tttt -110.31 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.39 108.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.29 -49.5 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -149.0 177.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 p -56.87 -25.07 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m -131.73 35.25 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.65 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG22 ' A' ' 110' ' ' THR . 56.4 mt -143.32 128.49 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -94.7 143.62 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.776 HG21 HG21 ' A' ' 89' ' ' ILE . 59.2 t -122.12 107.63 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.9 115.19 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.3 p90 -114.0 -176.31 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -105.9 125.02 50.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -57.29 131.83 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.54 135.78 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.4 pp -47.34 -21.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 43' ' ' LEU . 17.9 mm-40 -70.74 106.61 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -90.24 8.98 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -91.76 -20.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -53.74 145.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.58 -51.55 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 p -157.29 -177.7 6.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 1.018 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 94.4 m-85 -117.21 109.5 16.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 66' ' ' ARG . 29.4 tt0 -82.84 108.04 15.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.628 HG13 HG22 ' A' ' 91' ' ' VAL . 4.2 mp -89.96 98.51 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -87.07 132.27 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CE1' HD22 ' A' ' 78' ' ' LEU . 56.1 p90 -144.22 131.84 21.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 p90 -148.95 136.26 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -64.15 143.42 57.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.22 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.638 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 7.8 p80 -63.22 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.65 172.51 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -111.57 150.9 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -33.52 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.64 13.31 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -72.3 120.01 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -73.62 173.74 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 1.3 ptp85 -158.8 134.69 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.61 127.26 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.39 120.74 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.39 144.71 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -41.42 139.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.7 t -57.33 -26.88 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.23 -17.77 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.03 110.16 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -65.79 -25.1 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 96.6 p -142.76 166.58 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.8 -177.4 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -136.36 133.8 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 54' ' ' TYR . 56.4 mt -104.17 145.26 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.29 160.53 40.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.4 m120 69.77 50.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.87 158.52 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.6 mt -84.41 143.22 41.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.699 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.39 54.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t70 44.73 50.98 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.9 m -132.47 119.68 20.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.32 129.9 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 18.1 m-85 -127.01 141.34 51.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -102.91 89.63 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.776 HG21 HG21 ' A' ' 37' ' ' VAL . 11.9 mt -85.36 143.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 105' ' ' MET . 22.2 mp0 -152.64 138.33 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 39' ' ' TRP . 68.9 t -106.08 139.83 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.13 124.66 2.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 1.018 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -103.67 133.88 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.2 p -167.86 155.0 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' HD13 ' A' ' 46' ' ' ILE . 49.8 p-10 -111.03 161.6 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 t -58.33 -15.12 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -76.59 -69.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -118.99 157.66 15.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.58 154.85 17.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -135.69 160.34 24.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.97 49.59 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.85 6.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -94.77 168.29 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.36 141.7 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.47 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 5.8 ttp -73.36 106.1 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 25' ' ' VAL . 45.6 mt -95.77 147.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -115.95 141.11 48.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.09 150.49 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.36 107.75 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 35' ' ' ILE . 76.5 p -64.75 163.46 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -79.56 163.34 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -80.69 123.81 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.93 133.45 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -129.41 93.25 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.77 52.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.38 56.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 p -83.93 114.79 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.1 t -123.6 102.9 8.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -154.41 162.38 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -125.75 163.74 22.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.84 102.71 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 p -84.9 82.92 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 t -129.39 155.48 45.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.2 93.3 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.63 110.4 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.78 126.87 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.34 130.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.7 -12.94 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -61.14 117.25 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t -108.88 166.92 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.59 157.9 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -93.07 -48.33 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' HD13 ' A' ' 46' ' ' ILE . 35.3 m-20 -152.07 149.9 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.48 144.13 24.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.67 45.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -122.74 -17.56 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -102.03 146.76 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.45 149.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.67 174.07 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 23' ' ' THR . 19.2 mt-10 58.61 36.81 25.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' HIS . 2.9 p -95.43 126.93 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.26 164.48 23.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 37' ' ' VAL . 30.3 m -125.31 127.35 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -107.33 125.69 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.57 119.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.403 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 13.2 mt -93.22 -59.46 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 178.96 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -53.54 -39.12 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -119.16 37.08 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -149.64 128.35 12.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.415 HD12 HD13 ' A' ' 81' ' ' LEU . 56.9 mt -146.81 134.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -105.73 147.88 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.635 HG11 ' CG2' ' A' ' 91' ' ' VAL . 20.3 t -130.1 116.16 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 m-70 -105.79 146.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -151.48 173.06 15.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -106.7 128.7 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 28.7 m170 -57.3 127.42 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.495 HG21 HG11 ' A' ' 47' ' ' VAL . 30.9 m -70.56 172.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.93 -19.44 37.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' OE1' HD11 ' A' ' 46' ' ' ILE . 22.0 mm-40 -73.74 113.9 11.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -86.73 5.13 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.71 HD12 ' ND2' ' A' ' 95' ' ' ASN . 12.2 pt -93.45 -15.66 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.7 m -56.53 117.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.67 -53.91 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.86 172.17 11.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 80.2 m-85 -103.56 120.29 40.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -92.39 114.76 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -101.64 89.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -81.39 128.55 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 44.0 p90 -133.07 141.99 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 88' ' ' PHE . 8.5 p90 -162.86 137.96 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.721 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -60.21 141.72 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.33 -42.08 30.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 8.1 p80 -71.17 -20.36 62.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.46 162.83 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -96.5 152.1 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.52 -21.93 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -28.33 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.5 12.39 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -69.4 135.76 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 30.9 m120 -78.86 150.93 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -121.28 135.73 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.0 t -131.37 120.07 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -108.95 136.65 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' THR . 27.5 m -140.11 140.69 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' VAL . 80.5 p -36.16 137.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -56.72 -16.52 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.79 -25.45 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.49 116.55 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.0 m-85 -78.84 2.47 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.6 p -162.22 177.46 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.62 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 7.2 tpp85 -134.7 135.45 42.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 54' ' ' TYR . 21.0 mt -115.01 150.15 36.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -146.1 173.43 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.6 m120 62.9 47.08 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 6.2 mt -110.5 149.06 30.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.32 144.57 74.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 144.86 55.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 14.8 t0 43.3 41.85 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 90.0 m -125.83 121.1 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 7.7 tt0 -57.52 133.01 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 56' ' ' ALA . 10.6 m-85 -130.98 116.63 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 43.4 m-85 -80.09 117.43 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.36 142.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.486 ' HG3' ' CE ' ' A' ' 105' ' ' MET . 10.2 mt-10 -134.48 119.28 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.635 ' CG2' HG11 ' A' ' 37' ' ' VAL . 95.1 t -113.01 110.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.36 131.09 4.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -76.11 156.5 33.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 22.9 p -173.47 141.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.71 ' ND2' HD12 ' A' ' 46' ' ' ILE . 35.7 p-10 -110.39 171.35 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -64.72 -37.06 86.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -55.71 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.76 163.13 13.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 72.5 m -98.09 130.63 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.66 156.5 20.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.16 39.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.23 68.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -77.01 -178.03 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.63 143.52 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 90' ' ' GLU . 7.2 tpt -74.76 98.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.6 mt -93.84 138.84 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.32 142.49 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.6 154.16 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 86' ' ' GLN . 6.8 m-85 -130.8 110.78 11.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -68.8 177.03 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.77 169.1 9.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -72.84 133.18 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.16 105.33 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -111.06 -68.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.36 -158.05 27.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.64 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.0 t -147.74 179.36 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.4 p -138.51 145.5 40.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -55.88 -63.35 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -50.18 138.21 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.75 -172.22 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -151.7 -177.99 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -104.2 16.73 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.06 57.74 1.66 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -99.99 141.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.34 153.26 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.28 135.92 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.549 ' C ' HD12 ' A' ' 11' ' ' ILE . 2.6 pp -38.42 151.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -97.5 114.08 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 m -64.29 108.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -161.95 137.77 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 14.0 pt20 -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 2.8 m-20 -162.32 168.65 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.77 144.09 40.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 t -114.23 -0.41 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' CG ' ' HB ' ' A' ' 42' ' ' VAL . 1.4 pm0 -117.69 173.51 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.01 66.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.6 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -84.98 178.56 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 23' ' ' THR . 13.2 mt-10 47.52 48.44 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 106' ' ' ILE . 7.5 p -96.56 136.43 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.99 164.45 28.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 108' ' ' ALA . 18.2 m -126.84 124.01 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -101.64 125.47 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.11 117.83 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -92.91 -49.95 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 m -153.45 176.09 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.1 p -53.14 -31.08 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 33.25 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.4 mt-10 -147.51 133.55 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.756 HD11 HG22 ' A' ' 110' ' ' THR . 21.7 mt -156.86 129.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.567 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 8.7 t -99.47 138.83 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG11 ' CG2' ' A' ' 91' ' ' VAL . 40.1 t -112.62 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 32.5 m-70 -94.01 143.64 26.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.97 170.66 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -102.08 137.34 40.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.532 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 8.3 m170 -57.85 139.49 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 44' ' ' GLU . 19.1 m -81.18 146.03 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.0 pp -53.02 -22.22 5.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.8 mm-40 -92.27 126.37 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.6 9.6 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 47' ' ' VAL . 8.2 pt -78.46 -25.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG11 ' HB1' ' A' ' 93' ' ' ALA . 22.6 m -51.3 160.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.66 -54.57 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -148.96 162.4 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.649 ' O ' HD12 ' A' ' 52' ' ' ILE . 79.4 m-85 -99.84 106.31 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -78.87 121.89 25.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.4 mp -111.9 97.78 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -88.05 117.86 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' HE1' HG23 ' A' ' 67' ' ' VAL . 11.0 p90 -126.92 147.98 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 14.5 p90 -167.58 150.85 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.94 144.47 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.85 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 28.2 p80 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -62.65 154.32 29.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.45 171.89 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.7 -10.98 59.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -83.29 -33.02 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.39 -1.53 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.01 134.23 53.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -81.23 -175.87 5.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -161.51 129.58 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -124.94 98.61 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -93.07 134.96 34.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.1 167.26 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -62.11 154.27 27.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 p -60.11 -26.48 66.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 116.83 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE2' ' CD2' ' A' ' 41' ' ' HIS . 17.1 m-85 -79.79 -18.09 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 p -141.17 163.87 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.86 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -127.63 139.28 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.69 137.91 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -139.49 161.81 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.2 m120 70.93 42.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 35' ' ' ILE . 5.0 mt -103.78 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.48 144.07 80.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.74 151.12 69.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.1 t0 36.85 49.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 m -136.36 131.18 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -70.12 143.74 52.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -136.36 114.91 11.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 41.7 m-85 -76.12 100.31 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' A' ' 27' ' ' VAL . 23.7 mt -93.81 139.32 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.79 119.28 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.622 ' CG2' HG11 ' A' ' 37' ' ' VAL . 49.5 t -109.71 117.71 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.24 122.04 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -72.03 137.59 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -167.14 139.25 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.7 ' OD1' ' HB3' ' A' ' 97' ' ' ALA . 24.5 p30 -102.45 174.46 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -67.63 -19.37 65.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . . . -71.51 -74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.64 160.98 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.4 148.08 23.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.8 163.73 13.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 153.24 69.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -75.41 176.32 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.05 156.31 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 44.7 ttm -79.7 96.2 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 HG13 ' A' ' 25' ' ' VAL . 13.2 mt -95.23 142.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.6 131.94 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.35 150.68 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.52 114.93 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.756 HG22 HD11 ' A' ' 35' ' ' ILE . 61.0 p -74.51 162.91 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -87.61 172.12 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -74.8 130.76 40.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.56 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -48.41 159.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.12 136.44 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.6 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.6 p -84.29 147.46 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.8 t -129.58 117.79 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t 61.01 43.25 11.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -61.26 176.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.01 126.82 41.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -131.66 146.88 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -135.01 140.85 45.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.31 115.68 4.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.77 128.33 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.2 111.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.8 p -137.88 121.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.7 mt 40.76 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -62.4 160.94 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -120.78 105.12 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.64 172.45 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' NE2' ' HB2' ' A' ' 97' ' ' ALA . 8.6 pm0 -131.42 -38.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.584 ' HB3' HD13 ' A' ' 46' ' ' ILE . 2.7 t70 -168.26 -175.66 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.25 145.8 16.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 147.07 62.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -121.92 -15.56 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.7 146.88 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.49 64.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.708 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.17 179.41 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.708 ' H ' HG22 ' A' ' 23' ' ' THR . 6.2 mm-40 43.62 35.78 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 106' ' ' ILE . 11.3 p -83.25 127.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.08 173.13 22.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' HB ' ' A' ' 89' ' ' ILE . 33.5 m -121.89 150.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -117.74 135.92 53.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -90.78 108.14 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.8 -64.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -146.66 -174.99 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.0 p -59.24 -29.62 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 34' ' ' GLU . 16.4 m -126.47 28.05 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 33' ' ' SER . 30.2 mt-10 -143.84 136.82 27.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' CG2' ' A' ' 110' ' ' THR . 75.5 mt -152.73 140.82 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -108.95 154.37 22.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.499 HG11 ' CG2' ' A' ' 91' ' ' VAL . 19.2 t -133.19 106.63 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -102.08 159.18 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.492 ' HB3' HG23 ' A' ' 25' ' ' VAL . 40.5 p90 -166.69 169.72 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -95.72 128.92 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -59.52 137.43 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.97 149.82 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.56 -24.43 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.49 125.7 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -99.48 -9.99 22.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 16' ' ' ASP . 6.1 pt -93.43 25.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.2 m -91.75 112.48 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.93 -61.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -174.69 157.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -77.33 101.16 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -83.89 126.15 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -106.7 99.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -86.55 112.68 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.54 145.03 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -166.62 151.42 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 153.36 41.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.43 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -65.23 -38.32 90.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -54.56 167.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -114.37 154.53 27.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -50.94 -42.84 59.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.96 -33.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 17.83 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.68 122.03 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.59 154.3 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -130.17 129.0 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.73 131.32 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -111.22 129.91 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.58 144.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -40.05 138.05 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.5 p -51.82 -26.95 10.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.32 -40.49 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.51 92.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -53.17 -25.91 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -144.33 160.05 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.23 175.13 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -132.32 156.01 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.9 mt -129.81 140.11 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.9 173.18 11.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.06 53.57 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 HD12 ' A' ' 35' ' ' ILE . 15.3 mt -112.13 148.77 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.49 143.52 90.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.717 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.79 145.5 57.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 38.98 53.49 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.3 m -131.97 129.12 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -64.77 128.58 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.8 104.7 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -69.4 120.76 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.606 ' HB ' HG11 ' A' ' 27' ' ' VAL . 22.6 mt -115.56 148.7 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.36 147.08 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 37' ' ' VAL . 36.9 t -139.15 105.64 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.21 121.06 3.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.0 118.32 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.6 m -150.96 145.98 25.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -109.58 168.93 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -68.65 -35.78 77.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -51.01 -70.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.9 161.81 13.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.38 102.7 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.08 169.93 42.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.43 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.89 23.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -82.94 -175.61 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 106' ' ' ILE . 4.3 t70 -72.32 146.21 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.1 ttm -87.05 120.85 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.519 HD11 HG13 ' A' ' 25' ' ' VAL . 4.6 mp -112.49 141.45 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -103.72 132.09 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.45 153.89 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.55 106.66 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HD11 ' A' ' 35' ' ' ILE . 60.7 p -69.65 165.02 22.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.78 169.78 14.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 126.6 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.717 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -64.69 87.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -68.76 -42.7 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -167.91 150.62 16.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.46 19.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 m -85.63 142.32 29.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -60.9 -48.54 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -126.48 133.85 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -69.2 147.42 51.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.02 174.06 33.4 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -102.66 102.31 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -158.36 160.93 37.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.63 97.48 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.04 162.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.66 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' ILE . 35.8 m -66.42 168.42 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 13' ' ' SER . 50.0 mm -34.33 122.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -100.24 40.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 11' ' ' ILE . 70.8 m 52.05 42.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -111.92 164.5 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -76.16 -45.8 31.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -156.87 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.0 145.81 16.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.698 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 134.24 27.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 p -116.38 -31.65 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -97.61 148.26 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 149.14 59.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 114.18 3.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.588 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.2 m -107.37 171.81 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 23' ' ' THR . 25.0 mt-10 55.49 41.03 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG22 ' CB ' ' A' ' 39' ' ' TRP . 9.5 t -76.82 154.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -138.82 162.32 25.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -138.23 129.72 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -103.06 131.03 50.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -82.7 87.78 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -59.28 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -151.27 -179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -61.62 -27.47 68.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.48 28.63 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' C ' HG13 ' A' ' 35' ' ' ILE . 21.4 mt-10 -153.73 139.52 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' THR . 84.1 mt -153.67 140.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -101.03 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG2' HG21 ' A' ' 89' ' ' ILE . 28.0 t -126.63 99.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -99.46 132.16 44.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.8 p90 -134.83 160.42 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.42 156.65 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -85.1 133.68 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -81.33 150.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.4 pp -60.36 -11.05 5.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HG2' HD12 ' A' ' 43' ' ' LEU . 72.5 mm-40 -96.25 104.97 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -85.18 4.78 32.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.22 -22.72 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 m -50.22 144.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -41.61 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -162.61 177.65 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.668 ' O ' HD12 ' A' ' 52' ' ' ILE . 94.4 m-85 -112.98 108.7 17.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.56 117.74 20.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 50' ' ' TYR . 4.2 mp -106.61 118.6 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -104.26 112.09 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -121.29 135.84 55.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -166.56 156.55 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.27 154.8 38.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.09 -39.27 63.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.401 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 31.3 p80 -70.69 -46.01 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 40.4 m-20 -55.01 157.73 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -100.51 165.95 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 13.9 pt-20 -67.87 -46.64 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -78.34 4.64 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.99 124.9 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -73.01 168.98 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -143.75 128.78 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -113.34 124.14 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -110.37 105.04 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -103.9 169.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -63.76 164.52 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.9 p -78.45 -12.54 60.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.49 -19.09 43.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -84.13 111.46 19.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.459 ' CZ ' ' CD2' ' A' ' 41' ' ' HIS . 14.4 m-85 -70.87 -5.2 28.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 67.7 p -158.84 172.9 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.61 179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -134.27 131.18 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.76 150.18 24.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -141.68 168.21 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.8 m120 62.19 51.84 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 35' ' ' ILE . 6.9 mt -108.15 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.8 mt -78.42 142.9 63.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.457 ' CB ' ' H ' ' A' ' 113' ' ' ALA . 54.0 Cg_endo -69.79 139.13 39.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 23.1 t70 50.49 47.45 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -127.55 137.99 52.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -77.74 116.7 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -114.22 125.11 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -88.63 107.22 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.411 HG21 ' CG2' ' A' ' 37' ' ' VAL . 19.0 mt -100.01 136.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -143.57 117.11 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CD2' ' A' ' 39' ' ' TRP . 57.1 t -95.89 130.59 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.29 121.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -82.2 143.57 31.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 p -170.57 144.35 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -110.95 152.76 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -47.27 -22.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -74.04 -75.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.87 153.53 17.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.12 158.51 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 159.78 23.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.66 35.87 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.92 58.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.4 p -73.67 -174.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 156.09 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.0 ttm -82.91 107.98 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.54 148.48 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.29 137.0 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.41 153.27 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.79 109.97 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 35' ' ' ILE . 81.2 p -75.94 152.42 37.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -71.12 173.59 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -80.35 91.55 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.457 ' H ' ' CB ' ' A' ' 83' ' ' PRO . . . 34.02 36.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' LYS . 1.5 t -128.44 153.48 47.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.02 159.54 27.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.83 12.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.3 m -39.28 -46.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -137.99 129.74 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -57.22 177.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -71.63 -55.56 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.06 -133.49 23.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -105.65 121.03 43.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 8' ' ' VAL . 5.9 m -134.31 142.83 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.81 -75.41 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' SER . 4.7 t 65.61 45.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.28 156.34 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 10' ' ' VAL . 34.0 m -68.74 121.38 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.4 mt -107.02 -46.32 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -45.87 123.76 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -47.88 133.91 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.6 136.07 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 15' ' ' GLN . 8.4 pm0 -86.33 -29.2 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -169.69 174.72 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.55 142.88 15.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -97.95 -23.55 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.55 144.43 27.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 148.77 58.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 103.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.47 -179.22 4.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' HG22 ' A' ' 23' ' ' THR . 43.5 mt-10 46.64 41.07 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.9 t -80.01 160.44 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.546 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -141.12 173.86 23.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.03 140.89 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' ILE . 15.2 tptp -109.43 138.11 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.55 84.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.9 -47.61 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -153.75 -179.0 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -61.15 -29.91 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -126.83 32.82 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -150.27 112.21 4.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' LYS . 36.2 mt -134.65 127.92 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 17.4 t -90.1 137.17 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 91' ' ' VAL . 31.2 t -115.3 104.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 3.6 m-70 -107.78 119.86 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.635 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -117.66 176.21 5.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.91 132.96 43.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 11.1 m170 -61.7 130.64 46.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.97 170.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 4.24 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 47' ' ' VAL . 49.2 mm-40 -99.71 95.98 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -76.65 4.69 8.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 95' ' ' ASN . 2.4 pp -86.65 -18.06 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 44' ' ' GLU . 20.1 m -51.68 139.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 49' ' ' SER . 3.1 pt-20 -89.79 -30.85 17.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 3.0 m -174.33 178.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 81.8 m-85 -116.36 133.28 56.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -103.46 122.16 44.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.576 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -104.34 93.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -83.43 115.34 22.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -128.46 148.16 50.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -172.16 146.97 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 164.67 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.68 80.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -63.56 -39.79 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -54.42 170.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -119.46 167.15 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.86 -30.22 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 11.8 pt-20 -67.28 -32.99 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -102.41 15.92 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.28 131.79 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.73 -179.6 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -160.06 136.48 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.87 126.15 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.94 118.42 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 m -125.9 152.66 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.2 t -48.2 147.35 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -64.26 -23.91 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -69.84 -13.37 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.63 96.23 10.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 12.3 m-85 -53.77 -22.27 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.6 p -145.24 166.53 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -131.33 175.96 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.1 ttp-105 -125.87 132.08 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 52' ' ' ILE . 72.6 mt -101.53 143.55 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -140.11 162.82 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 71.28 51.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -114.26 157.05 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.44 142.03 39.93 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.592 0.711 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.5 Cg_endo -69.77 139.74 40.91 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.377 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' LYS . 32.7 t70 51.97 44.26 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.3 m -125.45 136.18 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -76.27 125.01 28.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -125.78 126.26 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -89.41 91.92 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -80.58 144.68 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 30.9 tt0 -150.0 125.29 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG11 ' CD2' ' A' ' 39' ' ' TRP . 69.7 t -104.04 118.13 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.29 120.57 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -71.02 152.94 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.6 t -152.54 134.1 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.543 ' HB2' HD12 ' A' ' 46' ' ' ILE . 7.8 t30 -100.85 138.61 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.6 t -42.83 -24.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -92.34 -71.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.99 164.08 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.07 155.54 23.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.63 171.15 13.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.22 59.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 54.6 Cg_endo -69.68 151.92 69.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.0 p -72.88 177.08 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.91 144.26 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.1 ttm -66.61 116.33 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 25' ' ' VAL . 19.9 mt -109.92 151.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.63 134.53 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.31 153.74 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.36 109.53 11.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 45.4 p -72.86 -178.47 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASP . 6.4 mmpt? -107.44 -178.32 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.28 131.93 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . -57.97 121.97 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -123.89 126.82 47.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.54 158.14 8.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -38.11 8.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -65.43 -61.5 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.4 p -98.34 141.28 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 m -72.47 119.5 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -163.6 149.56 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.38 131.65 10.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -86.35 -47.61 9.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -63.09 91.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.89 -52.75 7.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.96 130.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.24 173.74 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' VAL . 15.0 p -89.14 122.35 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.72 166.6 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -55.49 141.58 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -74.01 150.54 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -161.68 151.93 17.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -100.62 -20.71 15.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -173.65 -175.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.06 138.31 12.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.9 Cg_endo -69.79 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -97.11 -35.13 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' OE1' HD21 ' A' ' 43' ' ' LEU . 7.3 tp10 -92.76 146.9 23.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.18 148.53 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.72 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -95.75 -179.46 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.72 ' H ' HG22 ' A' ' 23' ' ' THR . 42.9 mt-10 46.96 39.51 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.7 t -76.65 159.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.533 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -132.98 168.06 23.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.61 126.11 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 35' ' ' ILE . 21.1 tptt -103.51 144.2 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 98.8 t -108.3 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.32 -48.04 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -150.21 -176.7 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -62.24 -34.07 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -118.1 26.59 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.766 HD12 HD13 ' A' ' 81' ' ' LEU . 58.4 mt -139.79 124.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.12 149.36 21.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 91' ' ' VAL . 21.4 t -131.44 107.9 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -105.67 116.56 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -114.69 178.13 4.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -102.86 138.16 40.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.686 ' CG ' ' CE1' ' A' ' 74' ' ' TYR . 9.4 m170 -69.02 127.45 33.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 44' ' ' GLU . 22.9 m -74.57 137.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 44' ' ' GLU . 1.1 pp -41.57 -33.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.4 mt-10 -85.51 126.02 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -103.26 8.17 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -76.79 -4.92 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 m -64.52 141.43 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.05 -54.05 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 p -168.32 156.41 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.3 m-85 -92.37 130.71 37.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -112.28 128.11 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.936 HG13 HG22 ' A' ' 91' ' ' VAL . 4.8 mp -103.82 89.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 8.9 ttp-105 -75.67 118.71 18.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -129.95 145.14 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 13.4 p90 -164.45 148.34 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.71 150.51 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.2 -41.43 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -73.6 -36.96 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 6.8 m-20 -54.49 162.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -106.74 165.0 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -61.72 -33.22 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -66.67 -44.99 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.45 9.03 16.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.17 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -79.49 177.42 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -162.52 133.39 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.41 125.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 50' ' ' TYR . 1.6 tp-100 -109.52 117.71 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.3 -179.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.2 p -68.31 141.72 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -56.48 -26.82 55.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.01 -26.36 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.12 100.55 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.686 ' CE1' ' CG ' ' A' ' 41' ' ' HIS . 15.0 m-85 -63.95 -17.15 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.8 p -143.01 164.38 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.77 158.45 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.17 136.31 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 mt -109.01 136.05 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 53.6 mt-10 -131.11 160.38 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 79' ' ' GLU . 2.1 m-80 74.96 48.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 35' ' ' ILE . 27.3 mt -110.85 160.16 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -86.14 143.38 37.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.6 Cg_endo -69.79 145.99 58.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.9 t70 40.53 52.42 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.6 m -133.62 129.94 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.65 129.65 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -129.17 126.1 38.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 47.1 m-85 -86.18 100.11 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 52' ' ' ILE . 49.9 mt -98.41 139.39 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.37 124.6 12.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 HG13 ' A' ' 52' ' ' ILE . 94.2 t -106.84 120.64 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.01 134.15 6.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.809 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -86.46 135.6 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.5 t -158.32 136.64 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 21.5 p30 -109.2 159.9 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -60.74 -13.23 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -79.51 -72.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.84 146.39 17.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.4 t -78.67 146.55 33.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -127.89 149.9 18.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 135.09 29.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 165.55 30.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.3 p -77.11 -178.88 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.46 134.08 55.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.9 113.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 25' ' ' VAL . 34.9 mt -108.39 140.52 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.75 134.9 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -121.34 154.78 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -129.92 107.43 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.597 ' CG2' HD11 ' A' ' 35' ' ' ILE . 50.5 p -66.4 -177.29 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -108.72 167.06 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -68.62 136.03 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -73.37 136.27 44.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.2 m 41.91 51.25 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -84.44 146.94 22.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -3.92 12.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 t -37.94 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 t -96.87 138.21 34.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -62.18 104.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -143.48 141.3 30.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.16 -43.55 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -47.47 126.18 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -66.17 -47.04 75.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.81 -154.71 7.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 9' ' ' ALA . 33.4 m -109.9 -39.85 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' HG23 ' A' ' 8' ' ' VAL . . . -63.71 149.93 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.3 m -117.15 154.9 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.76 110.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.1 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m -150.46 133.82 16.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -149.81 161.49 42.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -67.15 -43.66 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -174.4 169.77 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.85 143.13 15.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.42 23.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -116.45 -16.59 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -99.82 136.94 38.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 148.46 35.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -77.36 -179.35 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 23' ' ' THR . 2.4 pt-20 35.83 51.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.89 117.45 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.2 175.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 HG13 ' A' ' 37' ' ' VAL . 27.6 m -131.84 129.53 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 111.109 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -102.23 130.36 48.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t -81.67 126.88 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.886 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.6 mt -98.36 -57.3 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -148.35 174.29 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -53.89 -31.05 48.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -121.53 28.63 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -146.4 140.4 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 81' ' ' LEU . 62.9 mt -155.2 135.6 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.886 ' OG ' HD11 ' A' ' 30' ' ' LEU . 73.5 m -110.89 138.26 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.638 HG11 ' CG2' ' A' ' 91' ' ' VAL . 45.8 t -115.58 108.87 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -102.37 136.44 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.432 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 45.2 p90 -146.34 167.7 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -88.51 144.39 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 6.9 m170 -80.88 129.38 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.71 142.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.98 -17.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.0 116.87 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.61 7.45 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.24 -16.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -56.36 135.02 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -71.07 -53.15 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -165.31 173.24 11.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 55.8 m-85 -105.71 103.05 12.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -79.12 132.47 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -116.66 114.32 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.8 ttp180 -102.73 109.59 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.2 p90 -118.36 136.6 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 53' ' ' ARG . 33.0 p90 -157.81 146.77 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.1 146.35 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.24 -44.85 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' ASP . 26.8 p80 -66.37 -47.58 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 6.0 m-20 -51.57 172.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -116.67 159.17 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -57.18 -25.28 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.11 -41.55 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.3 17.22 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.6 129.96 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 7.2 m-80 -67.07 145.83 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 24.0 mtm105 -117.83 124.61 48.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 54' ' ' TYR . 68.0 t -134.26 106.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -99.33 141.91 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 m -125.26 179.8 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -76.28 160.25 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -78.47 -7.28 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.28 -1.6 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -103.62 105.55 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 10.1 m-85 -63.09 -9.58 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 5.7 p -153.67 156.86 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.98 -178.4 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 9.8 ttp-105 -137.41 144.16 42.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.9 mt -125.84 143.75 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -141.81 168.69 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.27 46.53 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 35' ' ' ILE . 14.0 mt -108.26 159.36 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.93 143.75 43.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.865 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.72 154.55 67.76 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 84' ' ' ASP . 1.4 p-10 37.6 47.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -129.32 140.79 51.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -81.75 142.41 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -141.21 122.85 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -85.69 102.68 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 37' ' ' VAL . 51.6 mt -92.96 134.55 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -131.58 122.34 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.638 ' CG2' HG11 ' A' ' 37' ' ' VAL . 54.4 t -116.49 113.94 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.55 123.14 2.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.73 139.17 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 t -167.71 136.8 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -103.01 173.73 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -70.31 -24.28 62.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -65.74 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.03 151.36 17.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 90.3 m -83.5 122.76 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.84 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.94 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.21 54.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.3 p -70.52 -178.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.17 162.99 28.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttm -75.12 117.17 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.591 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -110.61 142.4 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -115.01 144.93 42.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.79 153.8 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.33 106.74 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 35' ' ' ILE . 54.2 p -67.66 161.98 24.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -74.09 162.68 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -73.78 131.92 42.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.865 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . . . -69.87 97.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.9 m -161.89 147.71 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.66 -176.43 54.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 109.65 2.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.8 m -78.24 92.99 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.3 m -52.55 167.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -145.19 169.02 19.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -111.42 168.88 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.03 132.33 10.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -152.11 138.14 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -159.34 145.48 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.86 72.5 1.06 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 9' ' ' ALA . 9.0 p -38.71 -40.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -45.19 98.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.54 141.74 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.84 123.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -112.36 118.91 36.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -95.68 89.06 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.63 151.16 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -85.57 -47.57 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -163.37 176.9 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.12 136.49 10.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.82 28.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -120.65 -22.47 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' OE2' HD23 ' A' ' 43' ' ' LEU . 19.0 tt0 -94.53 138.64 32.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.26 148.82 37.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.1 m -94.92 171.11 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.577 ' H ' HG22 ' A' ' 23' ' ' THR . 31.4 mt-10 61.08 33.86 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 106' ' ' ILE . 7.3 p -89.0 126.6 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.19 -177.85 15.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 37' ' ' VAL . 31.1 m -145.72 125.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' HD23 ' A' ' 30' ' ' LEU . 3.3 tmtm? -113.66 125.52 54.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HA ' ' A' ' 110' ' ' THR . 48.8 t -86.38 122.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.477 HD23 ' CD ' ' A' ' 28' ' ' LYS . 4.2 mt -92.35 -46.61 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.6 -178.05 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -59.76 -36.36 76.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.5 t -116.32 15.31 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -128.24 137.93 52.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 110' ' ' THR . 26.3 mt -156.2 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 m -126.35 137.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG21 HG21 ' A' ' 89' ' ' ILE . 38.1 t -121.57 112.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -108.46 136.46 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.1 p90 -138.41 -178.37 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.01 132.0 53.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -62.17 136.51 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG21 HG11 ' A' ' 47' ' ' VAL . 33.7 m -83.83 169.47 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -80.02 -9.49 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.8 mp0 -82.96 108.36 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -15.07 57.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.541 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.3 pp -75.86 -16.21 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 47' ' ' VAL . 15.2 m -53.01 115.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.05 -51.78 65.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.33 179.71 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.6 m-85 -111.78 104.16 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' CD ' ' O ' ' A' ' 92' ' ' GLY . 18.3 pm0 -80.14 144.68 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.781 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -122.82 89.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -75.15 126.19 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.88 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.2 p90 -156.74 146.55 20.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.11 146.46 47.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.71 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 24.8 p80 -66.74 -41.23 88.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 2.6 m-20 -51.37 174.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.84 171.77 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.8 13.2 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -113.11 -30.45 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.44 17.25 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.82 132.87 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -80.47 -177.86 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -155.02 115.36 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -98.99 112.9 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -101.45 123.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -128.09 155.33 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 73' ' ' GLU . 10.2 t -45.11 136.84 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -52.67 -35.23 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -54.99 -43.42 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.626 ' H ' HG23 ' A' ' 70' ' ' THR . 6.1 mm-40 -54.42 113.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.89 -12.62 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 p -148.53 165.57 30.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.87 172.3 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -132.18 150.43 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 81' ' ' LEU . 48.2 mt -119.33 146.93 44.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -138.07 166.22 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.1 m120 60.76 53.41 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 78' ' ' LEU . 9.4 mt -117.76 145.87 44.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.0 148.2 78.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 150.83 69.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 110' ' ' THR . 33.2 t70 41.44 54.25 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.6 m -129.23 123.49 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -69.15 117.29 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -119.97 118.89 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -79.71 102.0 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 HG21 ' A' ' 37' ' ' VAL . 28.5 mt -94.58 136.7 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' CD ' ' C ' ' A' ' 89' ' ' ILE . 19.0 mp0 -141.0 123.59 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.781 HG22 HG13 ' A' ' 52' ' ' ILE . 47.5 t -116.21 113.39 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' CD ' ' A' ' 51' ' ' GLN . . . -140.08 125.05 2.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.746 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -65.23 133.7 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 t -158.62 133.57 8.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.632 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 33.5 p-10 -108.22 150.86 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -47.85 -39.87 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.632 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -55.19 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.94 153.23 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.8 m -102.83 125.65 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.66 160.18 14.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.32 42.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.8 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -77.74 177.73 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.89 144.43 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.1 ttm -70.77 103.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 25' ' ' VAL . 10.9 mt -100.29 151.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 2.3 pm0 -125.46 136.28 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.93 154.14 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.24 102.68 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.493 ' HA ' HG11 ' A' ' 29' ' ' VAL . 57.8 p -57.19 -175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -103.14 167.37 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -81.31 121.35 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . -53.62 -62.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 t -84.16 133.65 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.16 142.53 6.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.77 51.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 m -159.3 147.05 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 83.8 p -79.51 88.59 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.573 ' HB2' HD13 ' A' ' 46' ' ' ILE . 9.7 p30 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.844 0.354 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 143.66 12.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.73 135.56 30.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.605 2.203 . . . . 0.0 112.388 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 p -123.09 -20.2 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.21 143.37 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.66 148.85 37.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.89 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.671 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -87.47 176.3 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.671 ' H ' HG22 ' A' ' 23' ' ' THR . 41.6 mt-10 54.93 41.47 31.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' HIS . 12.4 p -91.43 129.31 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.37 147.99 19.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.718 HG12 HG22 ' A' ' 37' ' ' VAL . 2.1 m -112.31 137.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD2' HD23 ' A' ' 30' ' ' LEU . 11.8 tmtt? -114.0 127.36 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.49 101.2 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 28' ' ' LYS . 48.3 mt -73.59 -59.33 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -137.83 179.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -53.58 -40.27 65.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 m -118.19 18.58 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.655 HD11 HG22 ' A' ' 110' ' ' THR . 53.1 mt -152.74 141.82 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 t -108.41 140.31 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.718 HG22 HG12 ' A' ' 27' ' ' VAL . 36.0 t -120.87 107.79 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.0 m-70 -101.8 160.82 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.529 ' CD2' HG11 ' A' ' 91' ' ' VAL . 32.9 p90 -167.77 159.93 12.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -89.96 129.98 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -58.46 127.56 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 47' ' ' VAL . 27.9 m -67.14 154.65 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.45 -6.41 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.84 105.38 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -79.75 5.69 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.1 pt -83.16 -23.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 47' ' ' VAL . 12.6 m -57.6 128.96 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.43 -49.58 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -157.44 -179.86 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.892 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 66.2 m-85 -116.28 124.44 50.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.38 114.44 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.2 mp -104.45 99.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 30.4 p90 -153.31 133.97 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -157.79 164.74 36.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -75.97 157.57 32.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB2' ' OE1' ' A' ' 86' ' ' GLN . . . -50.24 -39.11 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 13.3 p-80 -72.72 -44.37 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -52.27 164.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -110.8 152.7 26.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -55.86 -27.74 53.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.22 -28.98 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.66 11.3 39.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.38 134.52 36.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 34.0 m-80 -58.4 174.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -141.63 129.98 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.9 t -122.49 102.17 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -98.8 108.95 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -112.62 150.89 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.7 p -45.28 136.32 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -13.14 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.2 -33.29 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.81 102.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.91 -18.44 13.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.9 p -146.17 170.12 17.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.08 178.65 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -134.63 140.59 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.0 mt -115.49 139.8 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -138.95 168.56 19.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.44 46.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.99 177.56 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.68 143.73 27.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.9 Cg_endo -69.78 145.67 57.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.3 t70 40.14 54.73 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.2 m -135.63 134.16 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 53.9 tt0 -70.87 128.05 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.95 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.36 110.68 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.633 HD13 HG11 ' A' ' 27' ' ' VAL . 21.0 mt -103.02 155.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 89' ' ' ILE . 31.6 tt0 -159.04 125.96 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' CD2' ' A' ' 39' ' ' TRP . 63.8 t -105.82 119.67 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.64 123.05 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -85.61 148.96 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 p -171.52 150.39 2.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.737 ' ND2' HD12 ' A' ' 46' ' ' ILE . 47.8 p30 -109.01 171.92 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -67.89 -12.43 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.01 -73.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.1 148.94 18.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.06 146.2 26.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -113.41 158.09 14.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.01 52.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 155.17 66.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 p -82.23 179.96 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.09 146.57 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.2 ttm -84.01 113.37 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -112.32 151.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -115.84 140.93 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.03 153.85 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.6 101.42 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.655 HG22 HD11 ' A' ' 35' ' ' ILE . 81.9 p -63.66 169.3 4.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -91.71 170.27 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -76.59 128.4 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.788 0.328 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -168.58 143.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.33 50.55 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -122.84 -22.19 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -99.88 143.13 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.76 148.79 36.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.68 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -88.67 178.34 6.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.68 ' H ' HG22 ' A' ' 23' ' ' THR . 14.4 mt-10 56.38 40.92 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 106' ' ' ILE . 3.0 p -95.7 130.25 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.87 24.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.09 134.31 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -114.16 127.84 56.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 101.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.03 -61.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -146.18 177.98 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 p -57.78 -26.4 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.2 p -128.07 28.77 5.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 35' ' ' ILE . 20.2 mt-10 -148.34 136.83 21.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 81' ' ' LEU . 58.7 mt -152.12 144.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -112.17 130.39 55.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 45.0 t -113.59 103.27 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -98.69 143.68 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 42.0 p90 -150.61 164.57 35.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.79 143.09 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.482 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 11.5 m170 -72.58 133.26 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -86.18 143.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.0 -16.28 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.14 123.5 20.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -102.06 1.7 36.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 pt -95.86 -22.06 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 47' ' ' VAL . 28.2 m -44.03 113.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -58.47 -48.49 80.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 p -171.05 -179.74 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -113.51 120.5 41.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -97.76 109.02 21.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.39 84.37 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.11 118.72 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HE2' HG23 ' A' ' 67' ' ' VAL . 30.3 p90 -136.27 138.14 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.0 p90 -165.95 153.31 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 154.11 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.71 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.3 p-80 -62.75 -39.76 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.531 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -57.66 164.14 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -104.43 168.25 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.99 -19.6 64.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -80.87 -30.55 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.14 16.59 22.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.92 136.65 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -106.81 153.46 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.563 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -135.57 158.63 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' HE2' ' A' ' 54' ' ' TYR . 44.4 t -122.22 102.28 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.68 129.96 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.5 177.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -63.33 135.26 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.5 m -54.31 -25.01 21.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.89 -32.82 74.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.31 111.02 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 21.4 m-85 -74.18 -3.41 29.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 80.6 p -162.08 169.96 20.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.33 173.73 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -137.36 129.53 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 81' ' ' LEU . 45.9 mt -103.72 151.37 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 -178.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.25 45.96 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 35' ' ' ILE . 79.3 mt -101.22 144.38 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.4 143.5 93.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.9 Cg_endo -69.75 152.02 69.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.346 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' PRO . 22.7 t70 35.34 53.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -128.0 132.76 49.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -76.75 109.55 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.56 121.17 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 54.2 m-85 -83.25 106.24 14.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 mt -100.27 140.19 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.5 125.08 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.503 HG11 ' CG ' ' A' ' 39' ' ' TRP . 73.1 t -107.59 98.33 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -128.38 130.42 6.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.52 149.19 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.4 t -172.2 139.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -109.39 172.6 6.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -70.75 -30.49 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -116.93 162.73 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.49 127.47 49.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.3 153.26 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.56 45.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.23 46.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.62 2.213 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -80.59 176.22 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.6 137.06 54.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 31.4 ttm -63.08 113.07 2.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 25' ' ' VAL . 32.1 mt -105.33 137.7 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' O ' ' CD ' ' A' ' 107' ' ' GLU . 1.0 OUTLIER -112.67 142.17 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.45 154.83 46.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -132.38 108.5 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 p -69.46 166.05 19.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -83.13 171.88 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.69 125.67 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.855 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.02 143.15 10.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.531 0.682 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.75 135.29 30.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 t -125.12 -14.27 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -112.04 140.09 47.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.03 147.97 35.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.07 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.34 175.97 8.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.636 ' H ' HG22 ' A' ' 23' ' ' THR . 52.6 mt-10 56.33 49.38 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 106' ' ' ILE . 2.8 p -99.91 154.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -154.94 -178.55 29.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -140.81 120.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' ILE . 13.2 tptt -99.41 135.99 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.13 102.44 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -77.1 -54.35 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.2 m -145.82 172.58 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -53.01 -24.59 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.2 27.93 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.93 123.39 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 28' ' ' LYS . 23.6 mt -143.28 126.84 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.0 t -94.22 138.54 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 91.8 t -116.73 107.65 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -105.43 138.6 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.815 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.5 p90 -142.84 166.48 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.86 138.03 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 7.3 m170 -67.47 131.51 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.55 140.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.2 -18.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.81 100.47 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -80.19 4.82 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.3 pt -77.97 -16.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' VAL . 23.8 m -62.89 126.85 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.19 -41.76 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 p -165.67 174.47 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.667 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 51.8 m-85 -111.41 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -92.55 115.48 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 93.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -82.75 148.29 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 65' ' ' ASN . 29.6 p90 -155.67 134.17 11.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 11.1 p90 -162.53 163.7 27.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -73.8 146.34 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.49 -49.47 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 21.5 p-80 -60.62 -43.33 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 5.8 m-20 -57.84 173.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -115.3 150.63 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -54.07 -39.73 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 6.3 pt-20 -55.1 -45.96 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.44 14.13 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 61' ' ' GLU . . . -80.57 128.27 33.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 11.5 m-80 -53.02 149.0 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 18.9 mtm105 -120.45 123.99 44.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.55 112.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.36 121.53 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.405 HG21 ' HH2' ' A' ' 39' ' ' TRP . 31.7 m -117.77 160.91 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -53.65 138.11 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -56.01 -17.15 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -79.23 -30.73 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.24 105.45 2.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.7 m-85 -65.28 -18.08 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 24.9 p -146.95 160.3 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.54 -175.83 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -140.5 127.42 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.36 143.38 32.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.14 173.62 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 60.24 47.63 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 7.9 mt -106.9 171.07 7.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.4 143.49 26.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.7 Cg_endo -69.77 148.78 65.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 38.97 50.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.2 m -129.72 123.78 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.82 126.53 47.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 33.1 m-85 -90.15 102.77 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.16 147.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -148.78 126.74 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.815 HG11 ' CG ' ' A' ' 39' ' ' TRP . 42.5 t -106.57 116.32 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.06 131.43 4.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -88.71 154.24 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.1 p -173.07 145.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 46' ' ' ILE . 8.4 p-10 -109.89 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -72.04 -10.58 59.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.74 -71.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.88 158.57 14.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.65 132.38 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -104.95 152.19 17.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.23 47.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.47 60.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -79.31 -175.91 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.86 127.55 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 ttm -60.3 115.56 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 25' ' ' VAL . 18.9 mt -109.76 150.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -118.62 145.91 45.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -131.89 154.06 49.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -128.52 117.31 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.1 p -74.7 175.6 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -91.78 168.35 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.61 115.61 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.16 148.42 14.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 54.4 Cg_endo -69.71 138.52 38.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -127.02 -36.72 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -94.08 146.04 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 144.54 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.63 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -79.91 -179.24 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 53.36 40.07 30.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 106' ' ' ILE . 4.6 p -94.83 106.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.189 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.36 176.45 18.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 27' ' ' VAL . 27.7 m -139.98 122.57 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.171 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -108.34 134.13 51.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.91 113.91 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 46.3 mt -83.49 -44.22 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 m -163.32 -179.63 6.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.1 p -49.54 -40.22 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -123.03 41.37 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 30' ' ' LEU . 28.0 mt-10 -152.91 122.78 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 110' ' ' THR . 20.8 mt -145.99 126.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -100.46 132.95 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.789 HG21 HG21 ' A' ' 89' ' ' ILE . 46.9 t -113.57 109.13 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -97.57 151.85 19.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -155.77 161.89 40.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -88.57 153.84 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.606 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.2 m170 -80.26 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.67 169.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.9 pp -76.39 -27.44 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 43' ' ' LEU . 16.1 mt-10 -88.49 115.34 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.89 6.69 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -77.06 -20.53 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' HB1' ' A' ' 93' ' ' ALA . 19.9 m -53.54 139.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.65 -50.55 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -167.61 174.12 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 76.9 m-85 -103.22 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.611 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -105.32 114.26 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -104.1 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -131.68 138.03 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -157.34 151.84 25.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' ASP . . . -69.91 141.03 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.52 -28.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.8 p-80 -78.94 -32.94 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 9.4 t0 -68.77 173.5 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -108.71 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.33 -18.41 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.65 -19.38 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.84 12.46 37.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.67 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.53 158.33 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.92 130.66 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.42 102.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -97.62 126.93 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.2 175.28 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 p -67.13 136.52 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.3 p -53.79 -17.1 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.77 -32.33 52.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.92 99.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 14.0 m-85 -61.27 -13.54 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 p -150.08 163.2 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.25 176.24 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.11 138.7 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.0 142.16 46.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -140.06 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 64.27 33.7 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.33 151.24 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.52 145.52 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.53 65.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 39.82 48.93 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.8 m -132.02 126.49 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -58.53 142.62 48.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -145.83 118.97 8.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.51 109.81 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.789 HG21 HG21 ' A' ' 37' ' ' VAL . 16.1 mt -103.96 146.97 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -151.38 133.53 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 52' ' ' ILE . 32.4 t -113.41 138.6 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.5 128.71 3.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.29 133.7 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.9 p -167.44 158.19 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.813 ' ND2' HD13 ' A' ' 46' ' ' ILE . 34.6 p30 -110.8 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -67.16 -25.78 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.31 -70.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.29 159.95 13.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.79 152.88 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.433 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -124.97 161.15 19.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.14 39.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.16 69.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.1 p -73.29 166.24 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.56 148.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.2 ttm -74.41 117.11 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -106.75 140.57 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 107' ' ' GLU . 2.1 pp20? -114.25 138.83 49.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.27 157.6 39.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -134.91 101.33 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.614 HG22 HD11 ' A' ' 35' ' ' ILE . 67.4 p -57.33 173.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -96.23 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -79.16 134.47 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.468 ' HB3' HD13 ' A' ' 46' ' ' ILE . 3.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.789 0.328 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -165.05 145.98 6.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.3 Cg_endo -69.75 132.25 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.283 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -124.63 -1.09 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -122.8 145.34 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 146.89 35.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -92.6 171.82 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.555 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 57.06 41.59 27.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 106' ' ' ILE . 14.2 p -95.22 125.23 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.74 -179.67 16.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -137.17 119.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -104.09 125.63 50.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 109' ' ' PHE . 21.7 t -84.33 129.19 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.54 -46.24 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -147.45 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -71.27 -18.3 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -133.62 33.3 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -153.04 127.62 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -143.82 125.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -97.26 145.91 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 89' ' ' ILE . 30.4 t -126.98 132.75 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -119.48 148.95 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.6 p90 -159.12 161.11 36.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -93.18 143.28 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.505 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 23.5 m170 -67.27 130.33 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -71.32 160.14 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -87.04 113.09 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 2.35 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' ASP . 25.1 pt -77.15 -23.92 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 47' ' ' VAL . 22.3 m -55.21 125.13 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -77.22 -42.87 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -165.19 164.07 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.963 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 2.5 m-85 -103.08 139.51 38.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -108.0 128.32 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 91' ' ' VAL . 4.7 mp -109.64 91.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm105 -74.92 117.12 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -125.76 137.45 53.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -169.31 136.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 155.11 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.77 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 3.5 p-80 -61.47 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.602 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 4.3 m-20 -52.89 173.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -122.65 153.81 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.76 -34.12 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.795 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -61.63 -40.16 93.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.795 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -94.54 14.23 21.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.97 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.23 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -137.56 137.07 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.94 101.55 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.88 129.01 35.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.02 155.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.603 HG23 ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -50.3 146.17 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -67.89 -3.08 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -89.11 -8.91 52.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.603 ' HG2' HG23 ' A' ' 70' ' ' THR . 6.4 mm-40 -91.15 116.45 28.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 20.0 m-85 -80.35 7.88 8.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.7 p -164.77 177.82 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.56 -175.6 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -147.78 145.8 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -120.13 153.34 36.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -144.58 174.18 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 56.5 51.09 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 87' ' ' TYR . 32.4 mt -110.46 159.18 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.7 mt -83.35 141.64 42.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.3 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 12.2 t0 52.48 50.42 18.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 92.1 m -137.44 132.53 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -73.32 120.76 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.416 ' CD2' HD22 ' A' ' 81' ' ' LEU . 16.7 m-85 -114.18 107.48 15.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -67.04 115.73 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 37' ' ' VAL . 27.3 mt -113.0 141.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -147.65 118.56 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.632 HG22 HG13 ' A' ' 52' ' ' ILE . 85.6 t -94.85 120.05 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.61 120.96 2.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -86.97 136.8 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 p -166.45 159.2 14.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -111.01 167.55 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 t -59.49 -25.89 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.3 157.71 15.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.6 p -101.26 153.94 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -121.1 162.71 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.521 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.5 54.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 158.89 55.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.0 p -83.69 174.31 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD1' ' CG1' ' A' ' 25' ' ' VAL . 7.2 p-10 -47.36 128.92 12.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.1 ttm -62.84 108.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.587 ' CD1' HG13 ' A' ' 25' ' ' VAL . 11.2 mt -105.99 146.3 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.85 127.53 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -110.14 148.9 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.545 ' O ' HG21 ' A' ' 29' ' ' VAL . 7.7 m-85 -117.05 128.05 54.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.6 p -89.9 167.78 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -82.66 169.87 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 113' ' ' ALA . 4.1 mmmm -87.26 99.31 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.695 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.8 p30 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.819 0.342 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.61 148.92 10.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.55 0.691 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HG3' ' CB ' ' A' ' 94' ' ' CYS . 53.9 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.6 p -117.67 -40.26 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 10.3 tt0 -92.4 151.71 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -112.13 149.0 40.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.24 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.693 ' H ' HG22 ' A' ' 23' ' ' THR . 30.0 mt-10 58.56 26.79 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 106' ' ' ILE . 8.9 p -77.0 147.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.55 174.26 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 37' ' ' VAL . 33.3 m -147.4 132.97 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' ILE . 3.8 ptmt -111.34 160.57 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.79 90.18 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 28' ' ' LYS . 38.2 mt -67.69 -46.53 72.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -146.78 -176.33 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -72.55 -12.57 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 t -125.84 -23.75 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 19.1 mt-10 -96.41 146.64 24.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 28' ' ' LYS . 35.8 mt -160.33 128.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 5.5 t -102.48 144.46 30.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.778 HG21 HG21 ' A' ' 89' ' ' ILE . 51.0 t -131.48 109.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -99.33 140.23 33.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CH2' ' C ' ' A' ' 75' ' ' SER . 49.6 p90 -138.98 176.93 8.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.12 130.98 54.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 71' ' ' SER . 4.5 m170 -58.79 136.47 57.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 44' ' ' GLU . 30.7 m -79.01 138.92 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.6 pp -44.68 -24.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.597 ' OE1' HD11 ' A' ' 46' ' ' ILE . 8.4 mt-10 -90.6 109.63 20.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -87.03 10.13 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' ASP . 14.4 pt -75.9 -21.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.44 148.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.6 pt-20 -89.64 -38.02 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 t -170.53 159.72 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.948 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 88.4 m-85 -96.47 111.69 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.26 139.32 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 52' ' ' ILE . 3.4 mp -122.39 90.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 52.2 ttm-85 -73.38 123.77 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 10.4 p90 -135.07 141.8 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 21.7 p90 -171.45 151.32 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 148.23 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.51 -50.7 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -62.53 -40.79 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -53.06 159.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -105.13 157.73 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -54.11 -36.11 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.79 -23.16 66.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.78 9.22 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.3 129.22 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.442 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 5.6 m120 -98.56 137.25 37.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -110.69 124.14 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.31 114.12 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.31 151.84 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' THR . 19.2 m -136.48 148.07 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' VAL . 24.9 p -34.29 146.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 61.2 p -62.84 -26.15 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.83 -25.58 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -77.96 118.61 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 11.1 m-85 -87.87 18.98 3.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.589 ' C ' ' CH2' ' A' ' 39' ' ' TRP . 24.4 p -165.37 178.58 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.38 176.47 8.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -148.14 127.25 12.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.0 mt -106.75 146.66 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.64 159.59 41.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 64.5 54.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.58 165.54 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.61 140.71 29.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.39 65.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 13.6 t70 43.65 49.04 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.4 m -126.16 126.01 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -68.95 106.27 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -105.62 122.03 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.91 96.78 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 37' ' ' VAL . 21.4 mt -90.93 137.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 18.5 tt0 -146.04 120.4 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 39' ' ' TRP . 58.9 t -92.76 136.98 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.79 128.39 3.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.948 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -104.46 142.38 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . 6.1 p -173.58 164.37 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' OD1' ' A' ' 16' ' ' ASP . 51.1 p-10 -110.98 174.38 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -65.3 -32.39 74.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.417 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -59.06 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.96 162.73 13.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.8 m -96.56 158.69 15.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -125.21 155.72 18.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.64 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.5 Cg_endo -69.74 152.63 69.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.3 p -79.16 174.93 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.97 118.99 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.4 ttm -62.39 108.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.408 ' CD1' HG13 ' A' ' 25' ' ' VAL . 16.4 mt -101.79 145.59 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.45 137.23 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.89 153.45 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.78 106.4 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.612 HG22 HD11 ' A' ' 35' ' ' ILE . 40.6 p -67.13 176.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -95.41 169.73 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -81.9 117.57 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.79 0.329 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.42 145.19 22.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.9 22.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -114.55 -32.14 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.31 141.43 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.89 148.84 55.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -100.09 177.42 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' THR . 64.8 mt-10 52.53 39.19 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.685 HG22 ' CB ' ' A' ' 39' ' ' TRP . 14.0 t -71.32 159.1 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -125.96 152.66 18.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.24 122.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -106.82 131.38 53.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.98 86.99 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.24 -54.23 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -154.46 -177.45 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 -39.32 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.0 p -120.47 41.39 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.83 118.24 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 81' ' ' LEU . 78.9 mt -138.71 130.38 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 44.1 t -96.56 148.46 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CG2' ' A' ' 91' ' ' VAL . 25.9 t -128.76 98.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 8.4 m-70 -100.54 121.63 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CH2' HD11 ' A' ' 52' ' ' ILE . 46.7 p90 -117.89 -175.09 2.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -107.74 131.17 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CD2' ' CD2' ' A' ' 74' ' ' TYR . 5.5 m170 -60.11 136.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -93.08 141.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -51.97 -22.9 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.4 107.52 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -87.11 5.57 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.6 pt -78.62 -25.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.518 ' CG1' ' HB1' ' A' ' 93' ' ' ALA . 20.2 m -51.74 133.28 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -85.74 -37.94 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.9 p -163.86 164.01 23.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 52' ' ' ILE . 85.4 m-85 -105.9 110.02 22.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -81.37 124.24 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.75 HD11 ' CH2' ' A' ' 39' ' ' TRP . 4.3 mp -112.06 98.42 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.53 166.07 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.0 p90 -175.2 135.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.6 p90 -167.26 165.85 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.61 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -77.52 150.84 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.54 -34.28 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 8.7 p-80 -74.25 -38.97 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 28.3 m-20 -62.41 161.07 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -102.9 159.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -61.51 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.17 -33.34 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.55 13.61 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.48 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 36.9 m-80 -80.57 159.58 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -152.91 149.94 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.0 t -115.82 131.59 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.14 103.28 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.47 176.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.7 p -66.19 131.08 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -49.17 -26.61 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -66.75 -33.92 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.13 102.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CD2' ' CD2' ' A' ' 41' ' ' HIS . 13.0 m-85 -55.89 -26.07 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.0 p -139.94 170.08 16.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.35 -177.48 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.5 ttp-105 -137.14 143.19 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.5 mt -116.47 149.64 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.67 168.83 18.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 66.29 46.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.582 HD13 HD12 ' A' ' 35' ' ' ILE . 5.3 mt -110.51 157.47 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.18 144.23 46.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.8 Cg_endo -69.74 152.22 69.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' PRO . 24.8 t70 35.76 51.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.9 m -132.26 138.93 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.59 130.79 42.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -135.44 114.82 12.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 72.4 m-85 -82.82 106.64 14.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 37' ' ' VAL . 16.8 mt -98.04 136.11 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.07 133.33 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 37' ' ' VAL . 43.9 t -121.49 121.05 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.57 129.65 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -73.58 154.06 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.735 0.302 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.9 p -169.56 129.87 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.709 HD22 ' HB3' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -109.45 156.83 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -52.05 -25.71 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.709 ' HB3' HD22 ' A' ' 95' ' ' ASN . . . -75.37 -74.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.615 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . -120.97 149.86 17.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 159.72 18.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.84 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 160.47 49.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -75.94 -175.03 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -65.69 131.47 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.6 ttm -56.53 112.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.2 mt -108.28 140.84 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.6 137.85 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.97 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.8 112.04 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 49.3 p -67.4 171.42 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -95.11 173.03 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.97 117.64 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.473 ' OD2' HG21 ' A' ' 46' ' ' ILE . 12.3 t0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -152.77 143.54 15.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.89 46.55 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -122.43 -27.91 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.84 146.15 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 148.96 37.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.75 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.56 -179.77 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.121 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.728 ' H ' HG22 ' A' ' 23' ' ' THR . 28.6 mt-10 51.04 38.16 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HD11 ' A' ' 106' ' ' ILE . 2.7 p -97.44 128.27 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -179.15 16.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 37' ' ' VAL . 22.1 m -138.41 130.87 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -111.94 128.15 56.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.98 113.74 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.76 -60.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 m -133.62 176.41 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -58.79 -24.45 61.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -128.74 29.95 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.9 mt-10 -146.78 131.14 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 110' ' ' THR . 53.4 mt -150.86 125.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -96.27 131.69 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.506 HG13 HG12 ' A' ' 27' ' ' VAL . 38.4 t -111.93 102.34 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -95.21 157.1 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.608 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.6 p90 -160.73 162.91 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -87.81 148.93 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 5.7 m170 -74.14 136.14 42.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -76.66 172.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 44' ' ' GLU . 4.6 pp -84.0 -24.19 30.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.1 pm0 -82.32 133.03 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -103.04 3.08 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG21 ' OD2' ' A' ' 16' ' ' ASP . 8.6 pt -76.59 -20.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 93' ' ' ALA . 17.1 m -54.37 158.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.6 -43.21 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 m -167.63 162.87 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 75.2 m-85 -98.68 110.12 22.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.52 101.41 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -87.41 95.36 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttm-85 -82.5 131.79 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -144.83 138.04 26.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -159.7 160.73 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -75.73 141.84 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 -39.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 13.3 p-80 -72.2 -44.99 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.573 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 78.6 m-20 -53.79 157.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -103.44 160.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.96 -32.91 64.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 18.1 pt-20 -64.27 -47.71 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -86.73 17.92 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.32 131.3 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -100.2 144.66 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.474 ' NE ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.69 171.53 12.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -133.48 102.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -79.88 101.15 8.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.1 m -100.36 166.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -61.31 134.12 56.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -51.18 -26.46 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.0 -33.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.3 111.02 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.6 m-85 -68.27 -16.61 64.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 m -146.62 172.14 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.11 169.11 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -129.45 125.93 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.12 151.55 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -152.47 176.72 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 55.34 48.08 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 35' ' ' ILE . 25.7 mt -107.35 169.43 8.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.0 mt -93.96 143.71 26.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.37 60.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.8 t0 43.38 50.73 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 m -129.88 130.03 44.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -73.62 122.22 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -120.96 124.77 45.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.99 103.77 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 90' ' ' GLU . 23.8 mt -97.39 156.62 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 89' ' ' ILE . 6.2 pt-20 -160.05 140.61 11.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.614 HG22 HG13 ' A' ' 52' ' ' ILE . 97.4 t -128.73 107.01 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.56 122.42 3.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -60.18 125.34 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 t -151.32 134.9 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 12.3 p-10 -110.32 174.75 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t -69.47 -30.6 68.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.1 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.38 163.08 14.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.1 t -101.64 115.65 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.46 150.65 25.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 146.6 60.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.74 67.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.1 p -83.47 -176.72 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -54.59 116.57 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.1 ttm -58.49 103.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 25' ' ' VAL . 11.1 mt -98.95 139.6 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.22 148.72 32.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.2 152.34 48.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.99 103.51 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.74 HG22 HD11 ' A' ' 35' ' ' ILE . 72.2 p -66.36 170.26 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -90.93 170.2 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -82.72 129.7 35.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.852 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.841 0.353 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.76 141.62 39.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.52 35.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -124.47 -24.18 4.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -103.99 131.68 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.78 149.04 38.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.611 0.72 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 100.93 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.6 177.52 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 23' ' ' THR . 15.0 mt-10 56.96 43.8 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.07 134.09 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.37 -170.93 12.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 27' ' ' VAL . 32.4 m -148.87 123.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 35' ' ' ILE . 17.7 tptt -98.62 146.81 25.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 111' ' ' LYS . 84.9 t -105.51 94.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 76.6 mt -69.66 -54.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -157.51 -174.98 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -52.28 -43.94 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.453 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 47.3 m -117.82 39.9 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 33' ' ' SER . 45.3 mp0 -151.41 125.83 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 28' ' ' LYS . 82.5 mt -150.0 134.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -101.34 142.37 32.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.576 HG21 HG21 ' A' ' 52' ' ' ILE . 60.5 t -117.39 97.22 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -92.25 142.04 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HB2' ' A' ' 50' ' ' TYR . 29.6 p90 -149.81 163.9 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -90.1 136.15 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -64.7 133.85 52.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.58 158.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.0 pp -67.5 -26.28 66.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 5.6 mm-40 -80.55 98.99 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.14 0.04 29.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.8 pp -77.07 -16.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 93' ' ' ALA . 18.4 m -51.54 147.78 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -84.35 -47.35 10.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -173.39 162.4 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 52' ' ' ILE . 95.8 m-85 -91.92 107.49 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -78.56 118.31 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.787 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -102.43 95.86 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -86.79 124.76 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.549 ' HE1' HG23 ' A' ' 67' ' ' VAL . 22.7 p90 -140.77 136.19 32.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.4 p90 -160.03 158.85 31.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.817 ' HB1' ' CE1' ' A' ' 58' ' ' HIS . . . -64.77 145.97 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.58 17.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.817 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 16.1 p-80 -72.49 -41.25 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 1.9 m-20 -53.41 168.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -115.09 168.77 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -28.63 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -68.29 -29.01 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -103.7 15.12 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.03 134.59 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -91.77 158.77 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -137.55 134.95 36.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -109.02 92.05 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.34 105.83 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.14 159.78 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -51.29 135.16 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -55.21 -20.24 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -68.66 -26.15 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.19 96.48 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -49.98 -27.01 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -142.74 170.21 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.75 171.1 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -126.78 143.18 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 54' ' ' TYR . 26.5 mt -116.52 145.53 43.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -141.56 162.97 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 69.06 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 35' ' ' ILE . 15.7 mt -105.32 144.16 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.15 143.97 96.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.73 154.49 67.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.7 t0 34.53 48.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -127.15 138.65 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.62 125.68 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.45 118.64 27.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -79.55 96.52 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 108' ' ' ALA . 36.3 mt -86.98 149.6 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -158.99 126.66 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.787 HG22 HG13 ' A' ' 52' ' ' ILE . 76.1 t -114.65 127.42 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.73 120.75 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -77.79 122.29 25.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.6 t -153.76 140.22 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.658 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 35.3 p-10 -104.12 172.36 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.3 t -70.45 -28.18 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -62.7 -72.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.03 159.71 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.98 129.86 40.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.17 151.82 17.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.536 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.56 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.55 21.27 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.2 p -88.62 -174.75 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.67 143.34 57.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.5 ttm -74.73 109.64 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -103.95 150.62 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -117.5 144.64 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 89' ' ' ILE . . . -123.97 154.03 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -132.1 105.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 35' ' ' ILE . 65.2 p -68.1 172.23 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 29' ' ' VAL . 11.7 mmtp -92.52 167.67 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -74.63 132.82 42.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.86 148.42 17.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.73 136.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -124.41 -21.0 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.88 139.15 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 148.99 35.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.79 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -81.47 174.9 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.627 ' H ' HG22 ' A' ' 23' ' ' THR . 19.7 mt-10 56.44 39.23 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 25' ' ' VAL . 11.6 p -95.56 116.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.65 168.15 23.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.671 HG12 HG22 ' A' ' 37' ' ' VAL . 27.8 m -122.25 139.88 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -117.44 128.79 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.74 107.31 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.81 -49.07 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -152.96 176.76 11.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -54.29 -33.31 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -125.46 30.15 5.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -141.94 121.4 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 110' ' ' THR . 57.9 mt -144.7 124.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -102.3 141.4 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 27' ' ' VAL . 26.0 t -120.03 113.13 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -100.98 150.95 22.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 p90 -157.18 160.76 39.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.09 131.86 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.431 ' CE1' ' O ' ' A' ' 71' ' ' SER . 9.9 m170 -55.33 129.63 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.87 143.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.86 -21.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' VAL . 8.3 mm-40 -70.67 92.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -14.08 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.456 HD12 ' ND2' ' A' ' 95' ' ' ASN . 23.4 pt -75.53 -23.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 47' ' ' VAL . 18.6 m -51.11 114.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.89 -58.45 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' OE1' ' A' ' 68' ' ' GLN . 2.8 p -161.33 167.88 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.929 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 59.7 m-85 -100.7 115.19 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -88.21 124.92 34.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 91' ' ' VAL . 5.4 mp -106.65 108.32 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -92.87 138.83 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.83 138.12 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -162.78 142.4 9.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -54.43 148.67 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.91 66.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 6.1 p-80 -75.55 -33.07 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 6.8 m-20 -66.06 169.45 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.58 161.04 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -65.34 -19.5 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -71.55 -35.36 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.46 16.69 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.97 133.64 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -88.74 154.32 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.08 146.68 41.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.17 124.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 68' ' ' GLN . 1.7 pp0? -100.87 167.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 68' ' ' GLN . 19.0 m -149.78 167.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -57.45 141.13 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 87.1 p -58.85 -13.24 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -86.7 -16.31 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.94 103.27 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.87 -4.74 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -155.92 158.18 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.01 171.86 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -128.21 141.04 51.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -116.38 145.42 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -145.42 165.02 29.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.57 42.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.58 176.32 5.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.2 mt -102.0 144.64 29.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 134.19 27.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 15.8 t0 52.17 48.53 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.6 m -126.55 138.98 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.48 121.88 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.3 106.35 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.606 HG21 HG21 ' A' ' 37' ' ' VAL . 17.2 mt -100.0 137.75 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -150.16 129.53 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 52' ' ' ILE . 87.4 t -102.16 140.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.22 122.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.929 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -95.47 130.76 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.28 154.4 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' HD12 ' A' ' 46' ' ' ILE . 43.5 p-10 -111.0 161.1 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -54.76 -16.0 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.43 -73.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.34 150.48 17.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 21.9 p -83.4 151.05 25.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -120.51 155.62 16.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.66 40.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.46 40.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -56.71 -178.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 144.2 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.97 105.47 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 mt -105.36 140.08 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -109.15 134.98 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -119.25 153.19 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -129.97 110.5 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.745 HG22 HD11 ' A' ' 35' ' ' ILE . 76.9 p -70.14 162.52 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -82.24 170.74 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 113' ' ' ALA . 36.1 mttp -73.69 91.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -142.21 145.01 33.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.51 42.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 m -123.88 -17.77 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.5 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.1 tt0 -103.93 146.23 28.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.46 146.3 34.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.49 3.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.3 m -97.37 172.58 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' THR . 27.6 mt-10 62.62 37.96 12.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 p -96.62 121.53 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.39 163.91 21.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 108' ' ' ALA . 27.9 m -121.14 120.87 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.0 ttpt -98.43 139.06 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.53 105.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -78.45 -57.6 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -150.65 178.18 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.4 p -52.28 -31.48 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -126.13 34.55 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.44 ' C ' HG13 ' A' ' 35' ' ' ILE . 53.8 mm-40 -148.59 136.36 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.739 HD11 HG22 ' A' ' 110' ' ' THR . 44.0 mt -156.84 124.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -98.57 135.75 39.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 89' ' ' ILE . 26.2 t -115.96 110.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -103.76 142.48 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.8 p90 -144.25 169.41 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 5.7 tp10 -91.65 151.99 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.593 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 10.1 m170 -80.13 131.58 35.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.8 m -81.09 148.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.5 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -57.75 -14.36 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.0 mm-40 -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.65 4.04 50.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 1.002 HD12 ' ND2' ' A' ' 95' ' ' ASN . 8.6 pt -78.34 -24.1 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 47' ' ' VAL . 32.1 m -50.81 112.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 49' ' ' SER . 22.1 pt-20 -51.2 -49.03 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 85.7 p -169.91 171.43 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 84.8 m-85 -104.27 109.08 20.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.85 119.03 29.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.437 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.3 mp -102.86 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 16.9 ttp-105 -88.76 130.31 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 67' ' ' VAL . 1.5 p90 -139.28 147.8 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 16.4 p90 -169.68 148.34 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 147.97 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.17 -29.95 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -80.73 -37.04 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.11 159.25 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -103.51 167.79 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.58 -26.15 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.76 -38.75 80.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.95 2.55 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.05 140.65 57.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -88.52 -177.26 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -164.91 122.63 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 54' ' ' TYR . 61.1 t -105.29 122.78 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 141.1 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.6 m -139.78 170.39 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -67.29 139.02 57.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.1 p -52.26 -18.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -75.05 -33.45 61.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.88 102.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 18.8 m-85 -62.24 -14.27 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.5 p -146.98 179.24 7.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.79 174.31 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -131.14 139.56 49.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -111.35 134.25 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -133.4 162.45 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.73 53.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -111.23 175.45 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.93 143.2 26.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 139.85 40.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.4 t0 46.89 54.9 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.3 m -137.39 133.52 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.556 ' OE1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 tp60 -70.82 136.05 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -134.03 120.0 19.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.8 104.52 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 37' ' ' VAL . 13.1 mt -100.17 140.75 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -144.35 130.33 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 39' ' ' TRP . 70.0 t -115.11 110.34 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.34 128.53 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.598 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.12 130.65 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.5 t -156.43 134.32 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 1.002 ' ND2' HD12 ' A' ' 46' ' ' ILE . 41.9 p-10 -104.9 150.84 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -51.17 -23.76 3.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.67 -74.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -110.6 163.66 12.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.57 144.75 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.45 149.61 19.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.6 33.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 160.33 50.11 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -72.44 -176.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.17 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 46.7 ttm -47.57 115.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.0 mt -110.19 144.18 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . 9.5 pt-20 -113.06 150.38 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -140.91 150.68 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 11.5 m-85 -122.92 111.29 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.739 HG22 HD11 ' A' ' 35' ' ' ILE . 41.5 p -61.3 168.97 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.17 179.68 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -93.45 127.65 39.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.095 179.805 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.759 0.314 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -158.01 144.11 12.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.74 129.21 17.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -113.3 -22.61 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -111.06 156.39 21.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.78 147.61 66.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.63 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -97.24 169.4 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 23' ' ' THR . 27.8 mt-10 56.72 39.89 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 39' ' ' TRP . 12.9 t -70.13 157.2 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -123.61 154.43 17.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 37' ' ' VAL . 11.7 m -137.24 123.81 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' ILE . 19.7 tttt -110.31 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.39 108.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.29 -49.5 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -149.0 177.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 p -56.87 -25.07 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m -131.73 35.25 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.65 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG22 ' A' ' 110' ' ' THR . 56.4 mt -143.32 128.49 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -94.7 143.62 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.776 HG21 HG21 ' A' ' 89' ' ' ILE . 59.2 t -122.12 107.63 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.9 115.19 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.3 p90 -114.0 -176.31 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -105.9 125.02 50.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -57.29 131.83 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.54 135.78 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.4 pp -47.34 -21.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 43' ' ' LEU . 17.9 mm-40 -70.74 106.61 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -90.24 8.98 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -91.76 -20.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -53.74 145.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.58 -51.55 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 p -157.29 -177.7 6.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 1.018 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 94.4 m-85 -117.21 109.5 16.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 66' ' ' ARG . 29.4 tt0 -82.84 108.04 15.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.628 HG13 HG22 ' A' ' 91' ' ' VAL . 4.2 mp -89.96 98.51 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -87.07 132.27 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CE1' HD22 ' A' ' 78' ' ' LEU . 56.1 p90 -144.22 131.84 21.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 p90 -148.95 136.26 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -64.15 143.42 57.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.22 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.638 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 7.8 p80 -63.22 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.65 172.51 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -111.57 150.9 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -33.52 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.64 13.31 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -72.3 120.01 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -73.62 173.74 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 1.3 ptp85 -158.8 134.69 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.61 127.26 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.39 120.74 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.39 144.71 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -41.42 139.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.7 t -57.33 -26.88 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.23 -17.77 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.03 110.16 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -65.79 -25.1 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 96.6 p -142.76 166.58 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.8 -177.4 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -136.36 133.8 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 54' ' ' TYR . 56.4 mt -104.17 145.26 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.29 160.53 40.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 69.77 50.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.87 158.52 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.6 mt -84.41 143.22 41.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.699 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.39 54.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t70 44.73 50.98 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.9 m -132.47 119.68 20.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.32 129.9 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 18.1 m-85 -127.01 141.34 51.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -102.91 89.63 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.776 HG21 HG21 ' A' ' 37' ' ' VAL . 11.9 mt -85.36 143.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 105' ' ' MET . 22.2 mp0 -152.64 138.33 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 39' ' ' TRP . 68.9 t -106.08 139.83 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.13 124.66 2.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 1.018 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -103.67 133.88 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.2 p -167.86 155.0 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' HD13 ' A' ' 46' ' ' ILE . 49.8 p-10 -111.03 161.6 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 t -58.33 -15.12 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.59 -69.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -118.99 157.66 15.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.58 154.85 17.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -135.69 160.34 24.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.97 49.59 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.85 6.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -94.77 168.29 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.36 141.7 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.47 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 5.8 ttp -73.36 106.1 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 25' ' ' VAL . 45.6 mt -95.77 147.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -115.95 141.11 48.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.09 150.49 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.36 107.75 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 35' ' ' ILE . 76.5 p -64.75 163.46 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -79.56 163.34 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -80.69 123.81 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' HD13 ' A' ' 46' ' ' ILE . 35.3 m-20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.813 0.34 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.48 144.13 24.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.67 45.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -122.74 -17.56 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -102.03 146.76 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.45 149.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.67 174.07 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 23' ' ' THR . 19.2 mt-10 58.61 36.81 25.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' HIS . 2.9 p -95.43 126.93 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.26 164.48 23.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 37' ' ' VAL . 30.3 m -125.31 127.35 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -107.33 125.69 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.57 119.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.403 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 13.2 mt -93.22 -59.46 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 178.96 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -53.54 -39.12 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -119.16 37.08 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -149.64 128.35 12.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.415 HD12 HD13 ' A' ' 81' ' ' LEU . 56.9 mt -146.81 134.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -105.73 147.88 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.635 HG11 ' CG2' ' A' ' 91' ' ' VAL . 20.3 t -130.1 116.16 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 m-70 -105.79 146.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -151.48 173.06 15.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -106.7 128.7 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 28.7 m170 -57.3 127.42 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.495 HG21 HG11 ' A' ' 47' ' ' VAL . 30.9 m -70.56 172.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.93 -19.44 37.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.45 ' OE1' HD11 ' A' ' 46' ' ' ILE . 22.0 mm-40 -73.74 113.9 11.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -86.73 5.13 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.71 HD12 ' ND2' ' A' ' 95' ' ' ASN . 12.2 pt -93.45 -15.66 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.7 m -56.53 117.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.67 -53.91 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.86 172.17 11.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 80.2 m-85 -103.56 120.29 40.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -92.39 114.76 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -101.64 89.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -81.39 128.55 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 44.0 p90 -133.07 141.99 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 88' ' ' PHE . 8.5 p90 -162.86 137.96 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.721 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -60.21 141.72 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.33 -42.08 30.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 8.1 p80 -71.17 -20.36 62.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.46 162.83 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -96.5 152.1 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.52 -21.93 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -28.33 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.5 12.39 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -69.4 135.76 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 30.9 m120 -78.86 150.93 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -121.28 135.73 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.0 t -131.37 120.07 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -108.95 136.65 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' THR . 27.5 m -140.11 140.69 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' VAL . 80.5 p -36.16 137.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -56.72 -16.52 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.79 -25.45 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.49 116.55 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.0 m-85 -78.84 2.47 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.6 p -162.22 177.46 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.62 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 7.2 tpp85 -134.7 135.45 42.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 54' ' ' TYR . 21.0 mt -115.01 150.15 36.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -146.1 173.43 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 62.9 47.08 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 6.2 mt -110.5 149.06 30.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.32 144.57 74.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 144.86 55.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 14.8 t0 43.3 41.85 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 90.0 m -125.83 121.1 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 54.7 tt0 -57.52 133.01 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 56' ' ' ALA . 10.6 m-85 -130.98 116.63 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.513 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 43.4 m-85 -80.09 117.43 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.36 142.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.486 ' HG3' ' CE ' ' A' ' 105' ' ' MET . 10.2 mt-10 -134.48 119.28 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.635 ' CG2' HG11 ' A' ' 37' ' ' VAL . 95.1 t -113.01 110.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.36 131.09 4.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -76.11 156.5 33.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 22.9 p -173.47 141.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.71 ' ND2' HD12 ' A' ' 46' ' ' ILE . 35.7 p-10 -110.39 171.35 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -64.72 -37.06 86.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -55.71 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.76 163.13 13.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 72.5 m -98.09 130.63 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.66 156.5 20.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.16 39.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.23 68.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -77.01 -178.03 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.63 143.52 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 90' ' ' GLU . 7.2 tpt -74.76 98.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.6 mt -93.84 138.84 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.32 142.49 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.6 154.16 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 86' ' ' GLN . 6.8 m-85 -130.8 110.78 11.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -68.8 177.03 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.77 169.1 9.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -72.84 133.18 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.86 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.798 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.77 144.09 40.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 t -114.23 -0.41 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.425 ' CG ' ' HB ' ' A' ' 42' ' ' VAL . 1.4 pm0 -117.69 173.51 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.01 66.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.6 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -84.98 178.56 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 23' ' ' THR . 13.2 mt-10 47.52 48.44 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 106' ' ' ILE . 7.5 p -96.56 136.43 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.99 164.45 28.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 108' ' ' ALA . 18.2 m -126.84 124.01 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -101.64 125.47 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.11 117.83 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -92.91 -49.95 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 m -153.45 176.09 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.1 p -53.14 -31.08 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 33.25 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.424 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.4 mt-10 -147.51 133.55 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.756 HD11 HG22 ' A' ' 110' ' ' THR . 21.7 mt -156.86 129.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.567 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 8.7 t -99.47 138.83 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.622 HG11 ' CG2' ' A' ' 91' ' ' VAL . 40.1 t -112.62 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 32.5 m-70 -94.01 143.64 26.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.97 170.66 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -102.08 137.34 40.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.532 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 8.3 m170 -57.85 139.49 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 44' ' ' GLU . 19.1 m -81.18 146.03 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.0 pp -53.02 -22.22 5.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.8 mm-40 -92.27 126.37 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.6 9.6 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 47' ' ' VAL . 8.2 pt -78.46 -25.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG11 ' HB1' ' A' ' 93' ' ' ALA . 22.6 m -51.3 160.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.66 -54.57 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -148.96 162.4 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.649 ' O ' HD12 ' A' ' 52' ' ' ILE . 79.4 m-85 -99.84 106.31 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -78.87 121.89 25.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.4 mp -111.9 97.78 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -88.05 117.86 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' HE1' HG23 ' A' ' 67' ' ' VAL . 11.0 p90 -126.92 147.98 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 14.5 p90 -167.58 150.85 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -63.94 144.47 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.407 ' HB2' HE21 ' A' ' 86' ' ' GLN . . . -49.43 -29.85 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 11.2 p-80 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.492 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 53.4 m-20 -62.65 154.32 29.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.45 171.89 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.7 -10.98 59.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -83.29 -33.02 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.39 -1.53 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.01 134.23 53.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -81.23 -175.87 5.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -161.51 129.58 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -124.94 98.61 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -93.07 134.96 34.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.1 167.26 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -62.11 154.27 27.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 p -60.11 -26.48 66.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 116.83 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE2' ' CD2' ' A' ' 41' ' ' HIS . 17.1 m-85 -79.79 -18.09 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 p -141.17 163.87 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.86 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -127.63 139.28 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.69 137.91 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -139.49 161.81 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 70.93 42.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 35' ' ' ILE . 5.0 mt -103.78 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.48 144.07 80.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.74 151.12 69.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.1 t0 36.85 49.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 m -136.36 131.18 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 57' ' ' ALA . 18.3 tt0 -70.12 143.74 52.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -136.36 114.91 11.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 41.7 m-85 -76.12 100.31 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' A' ' 27' ' ' VAL . 23.7 mt -93.81 139.32 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.79 119.28 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.622 ' CG2' HG11 ' A' ' 37' ' ' VAL . 49.5 t -109.71 117.71 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.24 122.04 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -72.03 137.59 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -167.14 139.25 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.7 ' OD1' ' HB3' ' A' ' 97' ' ' ALA . 24.5 p30 -102.45 174.46 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -67.63 -19.37 65.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . . . -71.51 -74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.64 160.98 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.4 148.08 23.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.8 163.73 13.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 153.24 69.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -75.41 176.32 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.05 156.31 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 44.7 ttm -79.7 96.2 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 HG13 ' A' ' 25' ' ' VAL . 13.2 mt -95.23 142.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.6 131.94 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.35 150.68 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.52 114.93 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.756 HG22 HD11 ' A' ' 35' ' ' ILE . 61.0 p -74.51 162.91 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -87.61 172.12 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -74.8 130.76 40.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.882 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.584 ' HB3' HD13 ' A' ' 46' ' ' ILE . 2.7 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.25 145.8 16.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 147.07 62.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -121.92 -15.56 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.7 146.88 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.49 64.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.708 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.17 179.41 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.708 ' H ' HG22 ' A' ' 23' ' ' THR . 6.2 mm-40 43.62 35.78 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 106' ' ' ILE . 11.3 p -83.25 127.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.08 173.13 22.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' HB ' ' A' ' 89' ' ' ILE . 33.5 m -121.89 150.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -117.74 135.92 53.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -90.78 108.14 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.8 -64.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -146.66 -174.99 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.0 p -59.24 -29.62 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 34' ' ' GLU . 16.4 m -126.47 28.05 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 33' ' ' SER . 30.2 mt-10 -143.84 136.82 27.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' CG2' ' A' ' 110' ' ' THR . 75.5 mt -152.73 140.82 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -108.95 154.37 22.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.499 HG11 ' CG2' ' A' ' 91' ' ' VAL . 19.2 t -133.19 106.63 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -102.08 159.18 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.492 ' HB3' HG23 ' A' ' 25' ' ' VAL . 40.5 p90 -166.69 169.72 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -95.72 128.92 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -59.52 137.43 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.97 149.82 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.56 -24.43 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.49 125.7 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -99.48 -9.99 22.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 16' ' ' ASP . 6.1 pt -93.43 25.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 47' ' ' VAL . 12.2 m -91.75 112.48 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.93 -61.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -174.69 157.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -77.33 101.16 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -83.89 126.15 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -106.7 99.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -86.55 112.68 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.54 145.03 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -166.62 151.42 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 153.36 41.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.43 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.9 p-80 -65.23 -38.32 90.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.512 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 26.9 m-20 -54.56 167.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -114.37 154.53 27.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -50.94 -42.84 59.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.96 -33.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 17.83 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.68 122.03 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.59 154.3 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -130.17 129.0 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.73 131.32 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -111.22 129.91 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.58 144.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -40.05 138.05 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.5 p -51.82 -26.95 10.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.32 -40.49 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.51 92.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -53.17 -25.91 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -144.33 160.05 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.23 175.13 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -132.32 156.01 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.9 mt -129.81 140.11 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.9 173.18 11.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.06 53.57 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 HD12 ' A' ' 35' ' ' ILE . 15.3 mt -112.13 148.77 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.49 143.52 90.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.717 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.79 145.5 57.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 38.98 53.49 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.3 m -131.97 129.12 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.77 128.58 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.8 104.7 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -69.4 120.76 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.606 ' HB ' HG11 ' A' ' 27' ' ' VAL . 22.6 mt -115.56 148.7 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.36 147.08 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 37' ' ' VAL . 36.9 t -139.15 105.64 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.21 121.06 3.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.0 118.32 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.6 m -150.96 145.98 25.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -109.58 168.93 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -68.65 -35.78 77.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -51.01 -70.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.9 161.81 13.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.38 102.7 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.08 169.93 42.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.43 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.89 23.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -82.94 -175.61 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 106' ' ' ILE . 4.3 t70 -72.32 146.21 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.1 ttm -87.05 120.85 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.519 HD11 HG13 ' A' ' 25' ' ' VAL . 4.6 mp -112.49 141.45 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -103.72 132.09 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.45 153.89 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.55 106.66 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HD11 ' A' ' 35' ' ' ILE . 60.7 p -69.65 165.02 22.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.78 169.78 14.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 126.6 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.717 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.823 0.345 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.0 145.81 16.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.698 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 134.24 27.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 p -116.38 -31.65 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -97.61 148.26 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 149.14 59.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 114.18 3.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.588 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.2 m -107.37 171.81 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 23' ' ' THR . 25.0 mt-10 55.49 41.03 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG22 ' CB ' ' A' ' 39' ' ' TRP . 9.5 t -76.82 154.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -138.82 162.32 25.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -138.23 129.72 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -103.06 131.03 50.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -82.7 87.78 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -59.28 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -151.27 -179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -61.62 -27.47 68.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.48 28.63 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' C ' HG13 ' A' ' 35' ' ' ILE . 21.4 mt-10 -153.73 139.52 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' THR . 84.1 mt -153.67 140.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -101.03 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG2' HG21 ' A' ' 89' ' ' ILE . 28.0 t -126.63 99.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -99.46 132.16 44.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.8 p90 -134.83 160.42 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.42 156.65 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 6.2 m170 -85.1 133.68 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -81.33 150.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.4 pp -60.36 -11.05 5.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HG2' HD12 ' A' ' 43' ' ' LEU . 72.5 mm-40 -96.25 104.97 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -85.18 4.78 32.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.22 -22.72 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 m -50.22 144.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -41.61 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -162.61 177.65 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.668 ' O ' HD12 ' A' ' 52' ' ' ILE . 94.4 m-85 -112.98 108.7 17.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.56 117.74 20.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 50' ' ' TYR . 4.2 mp -106.61 118.6 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -104.26 112.09 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -121.29 135.84 55.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -166.56 156.55 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -74.27 154.8 38.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.09 -39.27 63.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.481 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 39.6 p-80 -70.69 -46.01 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 40.4 m-20 -55.01 157.73 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -100.51 165.95 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 13.9 pt-20 -67.87 -46.64 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -78.34 4.64 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.99 124.9 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -73.01 168.98 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -143.75 128.78 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -113.34 124.14 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -110.37 105.04 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -103.9 169.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -63.76 164.52 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.9 p -78.45 -12.54 60.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.49 -19.09 43.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -84.13 111.46 19.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 14.4 m-85 -70.87 -5.2 28.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 67.7 p -158.84 172.9 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.61 179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -134.27 131.18 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.76 150.18 24.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -141.68 168.21 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 62.19 51.84 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 35' ' ' ILE . 6.9 mt -108.15 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.8 mt -78.42 142.9 63.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.457 ' CB ' ' H ' ' A' ' 113' ' ' ALA . 54.0 Cg_endo -69.79 139.13 39.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 23.1 t70 50.49 47.45 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -127.55 137.99 52.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -77.74 116.7 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -114.22 125.11 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -88.63 107.22 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.411 HG21 ' CG2' ' A' ' 37' ' ' VAL . 19.0 mt -100.01 136.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -143.57 117.11 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CD2' ' A' ' 39' ' ' TRP . 57.1 t -95.89 130.59 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.29 121.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -82.2 143.57 31.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 p -170.57 144.35 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -110.95 152.76 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -47.27 -22.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -74.04 -75.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.87 153.53 17.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.12 158.51 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 159.78 23.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.66 35.87 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.92 58.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.4 p -73.67 -174.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 156.09 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.0 ttm -82.91 107.98 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.54 148.48 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.29 137.0 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.41 153.27 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.79 109.97 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 35' ' ' ILE . 81.2 p -75.94 152.42 37.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -71.12 173.59 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -80.35 91.55 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.457 ' H ' ' CB ' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 t0 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.83 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.55 142.88 15.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -97.95 -23.55 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.55 144.43 27.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 148.77 58.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 103.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.47 -179.22 4.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' HG22 ' A' ' 23' ' ' THR . 43.5 mt-10 46.64 41.07 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.9 t -80.01 160.44 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.546 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -141.12 173.86 23.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.03 140.89 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' ILE . 15.2 tptp -109.43 138.11 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.55 84.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.9 -47.61 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -153.75 -179.0 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -61.15 -29.91 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -126.83 32.82 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -150.27 112.21 4.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' LYS . 36.2 mt -134.65 127.92 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 17.4 t -90.1 137.17 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 91' ' ' VAL . 31.2 t -115.3 104.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 3.6 m-70 -107.78 119.86 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.635 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -117.66 176.21 5.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.91 132.96 43.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 11.1 m170 -61.7 130.64 46.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.97 170.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 4.24 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 47' ' ' VAL . 49.2 mm-40 -99.71 95.98 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -76.65 4.69 8.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 95' ' ' ASN . 2.4 pp -86.65 -18.06 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 44' ' ' GLU . 20.1 m -51.68 139.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 49' ' ' SER . 3.1 pt-20 -89.79 -30.85 17.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 3.0 m -174.33 178.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 81.8 m-85 -116.36 133.28 56.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -103.46 122.16 44.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.576 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -104.34 93.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -83.43 115.34 22.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -128.46 148.16 50.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -172.16 146.97 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 164.67 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.68 80.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 2.6 p-80 -63.56 -39.79 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 2.4 m-20 -54.42 170.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -119.46 167.15 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.86 -30.22 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 11.8 pt-20 -67.28 -32.99 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -102.41 15.92 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.28 131.79 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.73 -179.6 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -160.06 136.48 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.87 126.15 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.94 118.42 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 m -125.9 152.66 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.2 t -48.2 147.35 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -64.26 -23.91 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -69.84 -13.37 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.63 96.23 10.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 12.3 m-85 -53.77 -22.27 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.6 p -145.24 166.53 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -131.33 175.96 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.1 ttp-105 -125.87 132.08 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 52' ' ' ILE . 72.6 mt -101.53 143.55 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -140.11 162.82 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 71.28 51.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -114.26 157.05 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.44 142.03 39.93 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.592 0.711 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.465 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.5 Cg_endo -69.77 139.74 40.91 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.377 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' LYS . 32.7 t70 51.97 44.26 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.3 m -125.45 136.18 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -76.27 125.01 28.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -125.78 126.26 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -89.41 91.92 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -80.58 144.68 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 30.9 tt0 -150.0 125.29 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.635 HG11 ' CD2' ' A' ' 39' ' ' TRP . 69.7 t -104.04 118.13 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.29 120.57 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -71.02 152.94 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.6 t -152.54 134.1 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.543 ' HB2' HD12 ' A' ' 46' ' ' ILE . 7.8 t30 -100.85 138.61 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.6 t -42.83 -24.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -92.34 -71.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.99 164.08 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.07 155.54 23.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.63 171.15 13.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.22 59.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 54.6 Cg_endo -69.68 151.92 69.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.0 p -72.88 177.08 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.91 144.26 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.1 ttm -66.61 116.33 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 25' ' ' VAL . 19.9 mt -109.92 151.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.63 134.53 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.31 153.74 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.36 109.53 11.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 45.4 p -72.86 -178.47 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASP . 6.4 mmpt? -107.44 -178.32 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.28 131.93 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.06 138.31 12.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.9 Cg_endo -69.79 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -97.11 -35.13 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.464 ' OE1' HD21 ' A' ' 43' ' ' LEU . 7.3 tp10 -92.76 146.9 23.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.18 148.53 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.72 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -95.75 -179.46 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.72 ' H ' HG22 ' A' ' 23' ' ' THR . 42.9 mt-10 46.96 39.51 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.7 t -76.65 159.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.533 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -132.98 168.06 23.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.61 126.11 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 35' ' ' ILE . 21.1 tptt -103.51 144.2 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 98.8 t -108.3 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.32 -48.04 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -150.21 -176.7 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -62.24 -34.07 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -118.1 26.59 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.766 HD12 HD13 ' A' ' 81' ' ' LEU . 58.4 mt -139.79 124.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.12 149.36 21.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 91' ' ' VAL . 21.4 t -131.44 107.9 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -105.67 116.56 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -114.69 178.13 4.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -102.86 138.16 40.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.686 ' CG ' ' CE1' ' A' ' 74' ' ' TYR . 9.4 m170 -69.02 127.45 33.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 44' ' ' GLU . 22.9 m -74.57 137.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 44' ' ' GLU . 1.1 pp -41.57 -33.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.4 mt-10 -85.51 126.02 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -103.26 8.17 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -76.79 -4.92 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 m -64.52 141.43 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.05 -54.05 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 p -168.32 156.41 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.3 m-85 -92.37 130.71 37.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -112.28 128.11 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.936 HG13 HG22 ' A' ' 91' ' ' VAL . 4.8 mp -103.82 89.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 8.9 ttp-105 -75.67 118.71 18.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -129.95 145.14 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 13.4 p90 -164.45 148.34 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.71 150.51 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.2 -41.43 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.2 p-80 -73.6 -36.96 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 6.8 m-20 -54.49 162.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -106.74 165.0 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -61.72 -33.22 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -66.67 -44.99 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.45 9.03 16.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.17 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -79.49 177.42 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -162.52 133.39 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.41 125.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 50' ' ' TYR . 1.6 tp-100 -109.52 117.71 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.3 -179.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.2 p -68.31 141.72 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -56.48 -26.82 55.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.01 -26.36 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.12 100.55 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.686 ' CE1' ' CG ' ' A' ' 41' ' ' HIS . 15.0 m-85 -63.95 -17.15 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.8 p -143.01 164.38 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.77 158.45 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.17 136.31 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 mt -109.01 136.05 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 53.6 mt-10 -131.11 160.38 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 79' ' ' GLU . 2.1 m-80 74.96 48.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 35' ' ' ILE . 27.3 mt -110.85 160.16 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -86.14 143.38 37.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.6 Cg_endo -69.79 145.99 58.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.9 t70 40.53 52.42 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.6 m -133.62 129.94 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.65 129.65 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -129.17 126.1 38.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 47.1 m-85 -86.18 100.11 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 52' ' ' ILE . 49.9 mt -98.41 139.39 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.37 124.6 12.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 HG13 ' A' ' 52' ' ' ILE . 94.2 t -106.84 120.64 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.01 134.15 6.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.809 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -86.46 135.6 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.5 t -158.32 136.64 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 21.5 p30 -109.2 159.9 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -60.74 -13.23 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -79.51 -72.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.84 146.39 17.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.4 t -78.67 146.55 33.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -127.89 149.9 18.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 135.09 29.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 165.55 30.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.3 p -77.11 -178.88 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.46 134.08 55.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.9 113.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 25' ' ' VAL . 34.9 mt -108.39 140.52 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.75 134.9 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -121.34 154.78 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -129.92 107.43 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.597 ' CG2' HD11 ' A' ' 35' ' ' ILE . 50.5 p -66.4 -177.29 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -108.72 167.06 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -68.62 136.03 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.85 143.13 15.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.42 23.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -116.45 -16.59 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -99.82 136.94 38.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 148.46 35.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -77.36 -179.35 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 23' ' ' THR . 2.4 pt-20 35.83 51.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.89 117.45 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.2 175.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 HG13 ' A' ' 37' ' ' VAL . 27.6 m -131.84 129.53 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 111.109 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -102.23 130.36 48.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t -81.67 126.88 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.886 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.6 mt -98.36 -57.3 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -148.35 174.29 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -53.89 -31.05 48.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -121.53 28.63 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -146.4 140.4 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 81' ' ' LEU . 62.9 mt -155.2 135.6 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.886 ' OG ' HD11 ' A' ' 30' ' ' LEU . 73.5 m -110.89 138.26 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.638 HG11 ' CG2' ' A' ' 91' ' ' VAL . 45.8 t -115.58 108.87 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -102.37 136.44 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.432 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 45.2 p90 -146.34 167.7 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -88.51 144.39 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 6.9 m170 -80.88 129.38 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.71 142.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.98 -17.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.0 116.87 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.61 7.45 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.24 -16.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -56.36 135.02 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -71.07 -53.15 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -165.31 173.24 11.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 55.8 m-85 -105.71 103.05 12.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -79.12 132.47 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -116.66 114.32 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.8 ttp180 -102.73 109.59 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.2 p90 -118.36 136.6 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 53' ' ' ARG . 33.0 p90 -157.81 146.77 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.464 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -68.1 146.35 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.24 -44.85 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 35.1 p-80 -66.37 -47.58 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 6.0 m-20 -51.57 172.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -116.67 159.17 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -57.18 -25.28 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.11 -41.55 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.3 17.22 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.6 129.96 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 7.2 m-80 -67.07 145.83 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 24.0 mtm105 -117.83 124.61 48.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 54' ' ' TYR . 68.0 t -134.26 106.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -99.33 141.91 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 m -125.26 179.8 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -76.28 160.25 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -78.47 -7.28 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.28 -1.6 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -103.62 105.55 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 10.1 m-85 -63.09 -9.58 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 5.7 p -153.67 156.86 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.98 -178.4 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 9.8 ttp-105 -137.41 144.16 42.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.9 mt -125.84 143.75 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -141.81 168.69 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.27 46.53 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 35' ' ' ILE . 14.0 mt -108.26 159.36 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.93 143.75 43.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.865 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.72 154.55 67.76 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 1.4 p-10 37.6 47.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -129.32 140.79 51.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -81.75 142.41 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -141.21 122.85 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -85.69 102.68 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 37' ' ' VAL . 51.6 mt -92.96 134.55 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -131.58 122.34 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.638 ' CG2' HG11 ' A' ' 37' ' ' VAL . 54.4 t -116.49 113.94 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.55 123.14 2.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.73 139.17 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 t -167.71 136.8 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -103.01 173.73 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -70.31 -24.28 62.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.74 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.03 151.36 17.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 90.3 m -83.5 122.76 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.84 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.94 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.21 54.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.3 p -70.52 -178.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.17 162.99 28.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttm -75.12 117.17 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.591 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -110.61 142.4 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -115.01 144.93 42.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.79 153.8 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.33 106.74 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 35' ' ' ILE . 54.2 p -67.66 161.98 24.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -74.09 162.68 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -73.78 131.92 42.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.865 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.789 0.328 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.12 136.49 10.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.82 28.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -120.65 -22.47 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.618 ' OE2' HD23 ' A' ' 43' ' ' LEU . 19.0 tt0 -94.53 138.64 32.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.26 148.82 37.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.1 m -94.92 171.11 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.577 ' H ' HG22 ' A' ' 23' ' ' THR . 31.4 mt-10 61.08 33.86 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 106' ' ' ILE . 7.3 p -89.0 126.6 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.19 -177.85 15.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 37' ' ' VAL . 31.1 m -145.72 125.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' HD23 ' A' ' 30' ' ' LEU . 3.3 tmtm? -113.66 125.52 54.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HA ' ' A' ' 110' ' ' THR . 48.8 t -86.38 122.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.477 HD23 ' CD ' ' A' ' 28' ' ' LYS . 4.2 mt -92.35 -46.61 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.6 -178.05 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -59.76 -36.36 76.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.5 t -116.32 15.31 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -128.24 137.93 52.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 110' ' ' THR . 26.3 mt -156.2 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 m -126.35 137.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.495 HG21 HG21 ' A' ' 89' ' ' ILE . 38.1 t -121.57 112.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -108.46 136.46 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.1 p90 -138.41 -178.37 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.01 132.0 53.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -62.17 136.51 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.455 HG21 HG11 ' A' ' 47' ' ' VAL . 33.7 m -83.83 169.47 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -80.02 -9.49 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.8 mp0 -82.96 108.36 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -15.07 57.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.541 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.3 pp -75.86 -16.21 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.2 m -53.01 115.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.05 -51.78 65.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.33 179.71 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.6 m-85 -111.78 104.16 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.445 ' CD ' ' O ' ' A' ' 92' ' ' GLY . 18.3 pm0 -80.14 144.68 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.781 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -122.82 89.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -75.15 126.19 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.88 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.2 p90 -156.74 146.55 20.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.11 146.46 47.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.71 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.504 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 9.1 p-80 -66.74 -41.23 88.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 2.6 m-20 -51.37 174.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.84 171.77 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.8 13.2 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -113.11 -30.45 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.44 17.25 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.82 132.87 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -80.47 -177.86 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -155.02 115.36 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -98.99 112.9 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -101.45 123.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -128.09 155.33 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 73' ' ' GLU . 10.2 t -45.11 136.84 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -52.67 -35.23 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -54.99 -43.42 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.626 ' H ' HG23 ' A' ' 70' ' ' THR . 6.1 mm-40 -54.42 113.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.89 -12.62 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 p -148.53 165.57 30.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.87 172.3 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -132.18 150.43 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 81' ' ' LEU . 48.2 mt -119.33 146.93 44.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -138.07 166.22 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 60.76 53.41 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 78' ' ' LEU . 9.4 mt -117.76 145.87 44.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.0 148.2 78.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 150.83 69.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 110' ' ' THR . 33.2 t70 41.44 54.25 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.6 m -129.23 123.49 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -69.15 117.29 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -119.97 118.89 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -79.71 102.0 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 HG21 ' A' ' 37' ' ' VAL . 28.5 mt -94.58 136.7 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.425 ' CD ' ' C ' ' A' ' 89' ' ' ILE . 19.0 mp0 -141.0 123.59 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.781 HG22 HG13 ' A' ' 52' ' ' ILE . 47.5 t -116.21 113.39 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' CD ' ' A' ' 51' ' ' GLN . . . -140.08 125.05 2.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.746 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -65.23 133.7 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 t -158.62 133.57 8.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.632 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 33.5 p-10 -108.22 150.86 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -47.85 -39.87 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.632 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -55.19 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.94 153.23 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.8 m -102.83 125.65 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.66 160.18 14.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.32 42.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.8 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -77.74 177.73 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.89 144.43 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.1 ttm -70.77 103.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 25' ' ' VAL . 10.9 mt -100.29 151.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 2.3 pm0 -125.46 136.28 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.93 154.14 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.24 102.68 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.493 ' HA ' HG11 ' A' ' 29' ' ' VAL . 57.8 p -57.19 -175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -103.14 167.37 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -81.31 121.35 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.9 p -129.19 148.18 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.86 0.362 . . . . 0.0 110.84 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 p -152.19 131.8 13.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.41 108.83 0.74 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.454 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -87.08 -59.73 2.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.913 0.387 . . . . 0.0 110.873 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t 61.0 45.18 9.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 70.49 82.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -33.98 123.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 111.158 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -122.56 87.15 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.4 m -120.13 136.54 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.8 mt -102.33 111.41 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -116.3 157.05 25.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.4 m -137.77 121.13 17.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -147.44 157.88 43.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.5 pt20 -85.68 -42.96 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.573 ' HB2' HD13 ' A' ' 46' ' ' ILE . 9.7 p30 -144.37 172.45 12.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.96 143.66 12.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.561 0.696 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.463 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.73 135.56 30.82 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.605 2.203 . . . . 0.0 112.388 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.0 p -123.09 -20.2 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.21 143.37 34.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.66 148.85 37.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.567 0.698 . . . . 0.0 111.127 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 105.89 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.337 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.671 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -87.47 176.3 7.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.671 ' H ' HG22 ' A' ' 23' ' ' THR . 41.6 mt-10 54.93 41.47 31.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.839 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 38' ' ' HIS . 12.4 p -91.43 129.31 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.37 147.99 19.56 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.718 HG12 HG22 ' A' ' 37' ' ' VAL . 2.1 m -112.31 137.2 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HD2' HD23 ' A' ' 30' ' ' LEU . 11.8 tmtt? -114.0 127.36 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.1 t -81.49 101.2 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 HD23 ' HD2' ' A' ' 28' ' ' LYS . 48.3 mt -73.59 -59.33 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -137.83 179.95 6.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -53.58 -40.27 65.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.2 m -118.19 18.58 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -128.06 134.17 49.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.655 HD11 HG22 ' A' ' 110' ' ' THR . 53.1 mt -152.74 141.82 14.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.152 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 t -108.41 140.31 41.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.718 HG22 HG12 ' A' ' 27' ' ' VAL . 36.0 t -120.87 107.79 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.0 m-70 -101.8 160.82 14.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.529 ' CD2' HG11 ' A' ' 91' ' ' VAL . 32.9 p90 -167.77 159.93 12.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.943 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -89.96 129.98 36.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -58.46 127.56 32.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG21 HG11 ' A' ' 47' ' ' VAL . 27.9 m -67.14 154.65 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.45 -6.41 19.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -94.84 105.38 17.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -79.75 5.69 12.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.737 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.1 pt -83.16 -23.36 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 47' ' ' VAL . 12.6 m -57.6 128.96 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -74.43 -49.58 21.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.1 m -157.44 -179.86 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.892 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 66.2 m-85 -116.28 124.44 50.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -91.38 114.44 26.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.2 mp -104.45 99.66 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.8 mtm180 -84.99 146.39 27.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 30.4 p90 -153.31 133.97 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.981 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 15.6 p90 -157.79 164.74 36.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -75.97 157.57 32.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB2' ' OE1' ' A' ' 86' ' ' GLN . . . -50.24 -39.11 43.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.518 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 13.3 p-80 -72.72 -44.37 61.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -52.27 164.88 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -110.8 152.7 26.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -55.86 -27.74 53.17 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.22 -28.98 61.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -101.66 11.3 39.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.38 134.52 36.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 34.0 m-80 -58.4 174.37 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.5 mtm180 -141.63 129.98 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.9 t -122.49 102.17 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -98.8 108.95 21.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.3 m -112.62 150.89 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.7 p -45.28 136.32 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -56.82 -13.14 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -76.2 -33.29 59.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.989 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -69.81 102.41 1.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -56.91 -18.44 13.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 56.9 p -146.17 170.12 17.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.08 178.65 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.1 ttp180 -134.63 140.59 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.0 mt -115.49 139.8 49.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -138.95 168.56 19.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.44 46.15 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.99 177.56 4.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.68 143.73 27.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.61 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.9 Cg_endo -69.78 145.67 57.76 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.381 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.3 t70 40.14 54.73 2.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.2 m -135.63 134.16 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.423 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 53.9 tt0 -70.87 128.05 34.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -129.95 119.5 23.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.95 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -81.36 110.68 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.633 HD13 HG11 ' A' ' 27' ' ' VAL . 21.0 mt -103.02 155.65 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' N ' HG22 ' A' ' 89' ' ' ILE . 31.6 tt0 -159.04 125.96 4.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.529 HG11 ' CD2' ' A' ' 39' ' ' TRP . 63.8 t -105.82 119.67 55.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.64 123.05 2.76 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.892 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -85.61 148.96 25.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.761 0.315 . . . . 0.0 111.115 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.8 p -171.52 150.39 2.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.737 ' ND2' HD12 ' A' ' 46' ' ' ILE . 47.8 p30 -109.01 171.92 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.7 t -67.89 -12.43 60.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.549 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -83.01 -73.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.1 148.94 18.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.4 t -87.06 146.2 26.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -113.41 158.09 14.52 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 144.01 52.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.685 2.256 . . . . 0.0 112.382 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.436 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.8 Cg_endo -69.76 155.17 66.63 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.25 . . . . 0.0 112.351 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.8 p -82.23 179.96 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -53.09 146.57 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.2 ttm -84.01 113.37 20.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 107' ' ' GLU . 10.9 mt -112.32 151.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.8 OUTLIER -115.84 140.93 48.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.03 153.85 33.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -132.6 101.42 5.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.655 HG22 HD11 ' A' ' 35' ' ' ILE . 81.9 p -63.66 169.3 4.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -91.71 170.27 10.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.6 mtmm -76.59 128.4 34.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.61 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -76.69 121.4 23.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 t -94.24 161.15 14.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -142.67 -173.34 14.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 117' ' ' SER . 54.2 Cg_endo -69.66 -7.04 20.01 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.362 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 116' ' ' PRO . 58.6 m -36.97 110.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.2 t -93.53 -47.47 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 -179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -164.57 167.72 19.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.858 0.361 . . . . 0.0 110.839 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -101.0 170.07 8.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.31 -54.43 0.73 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -39.11 146.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -142.18 108.32 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.26 57.23 3.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.518 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.0 p -39.19 122.64 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.25 110.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.6 t -41.95 135.26 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.8 pt -80.55 172.52 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -97.07 146.71 24.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 p -137.22 169.51 17.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.41 134.93 47.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' O ' ' CG ' ' A' ' 16' ' ' ASP . 7.9 pt20 -56.08 -48.48 76.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 15' ' ' GLN . 56.4 m-20 -165.31 -178.15 4.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -168.58 143.94 2.86 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.571 0.7 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 143.33 50.55 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 t -122.84 -22.19 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -99.88 143.13 30.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.76 148.79 36.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.68 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -88.67 178.34 6.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.68 ' H ' HG22 ' A' ' 23' ' ' THR . 14.4 mt-10 56.38 40.92 29.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.492 HG13 HD11 ' A' ' 106' ' ' ILE . 3.0 p -95.7 130.25 44.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -137.7 168.87 24.34 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 m -130.09 134.31 62.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.921 0.391 . . . . 0.0 111.118 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.8 tttt -114.16 127.84 56.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.1 t -83.65 101.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.154 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.1 mt -76.03 -61.29 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.8 m -146.18 177.98 8.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.813 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 p -57.78 -26.4 61.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.2 p -128.07 28.77 5.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 35' ' ' ILE . 20.2 mt-10 -148.34 136.83 21.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.575 HD12 HD13 ' A' ' 81' ' ' LEU . 58.7 mt -152.12 144.26 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.176 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -112.17 130.39 55.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.48 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 45.0 t -113.59 103.27 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -98.69 143.68 28.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 42.0 p90 -150.61 164.57 35.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -92.79 143.09 26.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.482 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 11.5 m170 -72.58 133.26 44.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -86.18 143.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -53.0 -16.28 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.14 123.5 20.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.8 mtmm -102.06 1.7 36.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.0 pt -95.86 -22.06 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 47' ' ' VAL . 28.2 m -44.03 113.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -58.47 -48.49 80.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.4 p -171.05 -179.74 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -113.51 120.5 41.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -97.76 109.02 21.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mp -85.39 84.37 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -67.11 118.72 10.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.484 ' HE2' HG23 ' A' ' 67' ' ' VAL . 30.3 p90 -136.27 138.14 41.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.413 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.0 p90 -165.95 153.31 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 154.11 35.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.65 -44.71 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.531 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.3 p-80 -62.75 -39.76 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.892 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.531 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 1.0 OUTLIER -57.66 164.14 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -104.43 168.25 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -68.99 -19.6 64.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -80.87 -30.55 35.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.14 16.59 22.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.063 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.92 136.65 34.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -106.81 153.46 22.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.563 ' NE ' ' H ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -135.57 158.63 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG23 ' HE2' ' A' ' 54' ' ' TYR . 44.4 t -122.22 102.28 11.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.127 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -78.68 129.96 35.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.5 177.2 7.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.8 p -63.33 135.26 56.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 66.5 m -54.31 -25.01 21.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -66.89 -32.82 74.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.31 111.02 1.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.482 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 21.4 m-85 -74.18 -3.41 29.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 80.6 p -162.08 169.96 20.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.816 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.33 173.73 10.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.085 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -137.36 129.53 29.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' HB2' HD11 ' A' ' 81' ' ' LEU . 45.9 mt -103.72 151.37 23.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -139.25 -178.76 5.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.25 45.96 9.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.575 HD13 HD12 ' A' ' 35' ' ' ILE . 79.3 mt -101.22 144.38 30.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.4 143.5 93.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 84' ' ' ASP . 53.9 Cg_endo -69.75 152.02 69.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.63 2.22 . . . . 0.0 112.346 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 83' ' ' PRO . 22.7 t70 35.34 53.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -128.0 132.76 49.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -76.75 109.55 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -111.56 121.17 44.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 54.2 m-85 -83.25 106.24 14.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.5 mt -100.27 140.19 19.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -140.5 125.08 17.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.503 HG11 ' CG ' ' A' ' 39' ' ' TRP . 73.1 t -107.59 98.33 6.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -128.38 130.42 6.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -79.52 149.19 31.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.4 t -172.2 139.47 1.06 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -109.39 172.6 6.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.5 p -70.75 -30.49 67.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.824 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.08 -67.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.091 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.465 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -116.93 162.73 12.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.9 p -102.49 127.47 49.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.885 0.374 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.3 153.26 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 141.56 45.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 161.23 46.72 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.62 2.213 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.9 p -80.59 176.22 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -56.6 137.06 54.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 31.4 ttm -63.08 113.07 2.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.492 HD11 HG13 ' A' ' 25' ' ' VAL . 32.1 mt -105.33 137.7 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' O ' ' CD ' ' A' ' 107' ' ' GLU . 1.0 OUTLIER -112.67 142.17 45.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -129.45 154.83 46.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -132.38 108.5 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.0 p -69.46 166.05 19.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -83.13 171.88 13.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.69 125.67 32.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.51 -59.83 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.5 m -109.4 165.05 11.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 120.09 -175.6 15.95 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -8.78 24.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.684 2.256 . . . . 0.0 112.317 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 m -66.65 -58.29 5.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.2 p -86.76 17.1 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -146.02 123.8 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 110.872 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 m -121.75 167.75 12.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.11 131.05 6.62 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -110.21 -37.67 5.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 110.849 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m 57.62 42.84 23.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.59 68.13 0.28 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.81 125.81 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.834 0.349 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.26 123.89 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.084 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 27.8 m -95.6 147.85 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.73 ' H ' HD12 ' A' ' 11' ' ' ILE . 5.1 mp -55.16 116.03 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -53.02 -48.76 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 26.2 t -82.44 100.14 9.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.86 147.1 24.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -88.41 -30.67 19.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -171.7 -175.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.02 143.15 10.2 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.531 0.682 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.418 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.75 135.29 30.11 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.331 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.5 t -125.12 -14.27 6.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -112.04 140.09 47.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.03 147.97 35.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 111.071 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.07 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.34 175.97 8.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.636 ' H ' HG22 ' A' ' 23' ' ' THR . 52.6 mt-10 56.33 49.38 15.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.71 HG13 HD11 ' A' ' 106' ' ' ILE . 2.8 p -99.91 154.41 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' N ' HG22 ' A' ' 25' ' ' VAL . . . -154.94 -178.55 29.34 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.468 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -140.81 120.47 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.904 0.383 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.512 ' O ' HG23 ' A' ' 35' ' ' ILE . 13.2 tptt -99.41 135.99 40.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -101.13 102.44 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.2 mt -77.1 -54.35 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.2 m -145.82 172.58 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.829 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.9 m -53.01 -24.59 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.3 m -128.2 27.93 5.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -145.93 123.39 11.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 28' ' ' LYS . 23.6 mt -143.28 126.84 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.0 t -94.22 138.54 32.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.563 ' CG1' ' CG2' ' A' ' 91' ' ' VAL . 91.8 t -116.73 107.65 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -105.43 138.6 41.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.841 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.815 ' CG ' HG11 ' A' ' 91' ' ' VAL . 48.5 p90 -142.84 166.48 24.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -93.86 138.03 32.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 7.3 m170 -67.47 131.51 45.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.0 m -81.55 140.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -51.2 -18.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -83.81 100.47 10.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.4 mmtp -80.19 4.82 16.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.564 HD12 ' ND2' ' A' ' 95' ' ' ASN . 7.3 pt -77.97 -16.58 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 47' ' ' VAL . 23.8 m -62.89 126.85 22.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.19 -41.76 63.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 p -165.67 174.47 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.667 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 51.8 m-85 -111.41 128.63 56.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -92.55 115.48 28.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.923 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.34 93.8 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -82.75 148.29 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 65' ' ' ASN . 29.6 p90 -155.67 134.17 11.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.531 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 11.1 p90 -162.53 163.7 27.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -73.8 146.34 44.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.49 -49.47 5.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 21.5 p-80 -60.62 -43.33 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 5.8 m-20 -57.84 173.36 0.32 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -115.3 150.63 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -54.07 -39.73 66.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.438 ' N ' ' HG2' ' A' ' 61' ' ' GLU . 6.3 pt-20 -55.1 -45.96 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.44 14.13 12.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 61' ' ' GLU . . . -80.57 128.27 33.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.44 ' HB3' ' CE1' ' A' ' 54' ' ' TYR . 11.5 m-80 -53.02 149.0 7.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 18.9 mtm105 -120.45 123.99 44.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -117.55 112.57 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -104.36 121.53 43.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.405 HG21 ' HH2' ' A' ' 39' ' ' TRP . 31.7 m -117.77 160.91 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.072 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 41.6 p -53.65 138.11 35.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.0 p -56.01 -17.15 6.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -79.23 -30.73 43.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -70.24 105.45 2.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.597 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.7 m-85 -65.28 -18.08 65.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.529 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 24.9 p -146.95 160.3 42.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -122.54 -175.83 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.076 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -140.5 127.42 20.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.6 mt -103.36 143.38 32.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -142.14 173.62 11.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 60.24 47.63 9.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 7.9 mt -106.9 171.07 7.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.4 143.49 26.4 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.451 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.7 Cg_endo -69.77 148.78 65.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.647 2.232 . . . . 0.0 112.327 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.9 t0 38.97 50.48 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 52.2 m -129.72 123.78 31.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -63.77 123.96 20.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -122.82 126.53 47.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 33.1 m-85 -90.15 102.77 15.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.9 mt -97.16 147.86 6.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.077 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -148.78 126.74 11.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.815 HG11 ' CG ' ' A' ' 39' ' ' TRP . 42.5 t -106.57 116.32 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.06 131.43 4.74 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -88.71 154.24 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.337 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.1 p -173.07 145.95 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.564 ' ND2' HD12 ' A' ' 46' ' ' ILE . 8.4 p-10 -109.89 172.71 6.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.2 t -72.04 -10.58 59.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.74 -71.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.88 158.57 14.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 4.7 t -93.65 132.38 38.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -104.95 152.19 17.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 142.23 47.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.648 2.232 . . . . 0.0 112.375 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 157.47 60.31 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.667 2.245 . . . . 0.0 112.329 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -79.31 -175.91 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.86 127.55 31.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.8 ttm -60.3 115.56 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.71 HD11 HG13 ' A' ' 25' ' ' VAL . 18.9 mt -109.76 150.23 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -118.62 145.91 45.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -131.89 154.06 49.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -128.52 117.31 21.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.1 p -74.7 175.6 7.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -91.78 168.35 11.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -81.61 115.61 20.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -51.51 120.62 5.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.8 t -159.23 119.97 3.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.34 -157.9 24.25 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 89.08 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.366 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 15.5 m -80.02 102.23 9.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.1 p -133.53 134.08 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.824 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.472 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -72.79 111.29 7.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.2 m -61.07 -58.08 9.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.92 107.97 0.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.446 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -164.3 166.79 20.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.919 0.39 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 p -163.22 154.9 17.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.26 -162.25 31.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.4 p -52.83 126.46 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.89 165.64 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.5 p -166.25 137.92 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 32.2 mt -95.31 92.13 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -39.48 133.57 1.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.7 p -160.04 171.12 19.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -132.93 140.83 48.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.07 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -56.83 -53.5 57.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -160.42 -176.77 5.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.16 148.42 14.56 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.578 0.704 . . . . 0.0 111.096 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 54.4 Cg_endo -69.71 138.52 38.18 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.688 2.258 . . . . 0.0 112.344 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -127.02 -36.72 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -94.08 146.04 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 144.54 28.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 97.63 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.725 2.283 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.718 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -79.91 -179.24 6.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.718 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 53.36 40.07 30.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.746 HG13 HD11 ' A' ' 106' ' ' ILE . 4.6 p -94.83 106.56 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.189 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.36 176.45 18.99 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.497 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 27' ' ' VAL . 27.7 m -139.98 122.57 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.874 0.369 . . . . 0.0 111.171 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.0 tttt -108.34 134.13 51.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.7 t -86.91 113.91 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 46.3 mt -83.49 -44.22 14.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.3 m -163.32 -179.63 6.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.1 p -49.54 -40.22 37.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.9 p -123.03 41.37 3.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 30' ' ' LEU . 28.0 mt-10 -152.91 122.78 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 110' ' ' THR . 20.8 mt -145.99 126.49 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.0 t -100.46 132.95 45.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.789 HG21 HG21 ' A' ' 89' ' ' ILE . 46.9 t -113.57 109.13 27.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -97.57 151.85 19.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 20.3 p90 -155.77 161.89 40.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -88.57 153.84 20.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.606 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 8.2 m170 -80.26 128.76 33.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.67 169.48 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.9 pp -76.39 -27.44 56.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' N ' HD12 ' A' ' 43' ' ' LEU . 16.1 mt-10 -88.49 115.34 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -88.89 6.69 38.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.813 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -77.06 -20.53 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG11 ' HB1' ' A' ' 93' ' ' ALA . 19.9 m -53.54 139.33 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -76.65 -50.55 13.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.1 p -167.61 174.12 8.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 76.9 m-85 -103.22 110.6 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -83.9 121.13 26.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.611 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -105.32 114.26 44.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -104.1 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.82 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -131.68 138.03 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.954 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 12.4 p90 -157.34 151.84 25.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 59' ' ' ASP . . . -69.91 141.03 53.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.102 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.52 -28.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.468 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.8 p-80 -78.94 -32.94 45.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 9.4 t0 -68.77 173.5 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.8 mmmm -108.71 165.29 11.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.945 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -65.33 -18.41 65.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -88.65 -19.38 26.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.84 12.46 37.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 134.67 35.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.084 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -78.53 158.33 28.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.92 130.66 53.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -119.42 102.53 13.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -97.62 126.93 43.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.1 m -127.2 175.28 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.8 p -67.13 136.52 55.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.163 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.3 p -53.79 -17.1 2.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.77 -32.33 52.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.92 99.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.606 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 14.0 m-85 -61.27 -13.54 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.6 p -150.08 163.2 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -126.25 176.24 7.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -133.11 138.7 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.5 mt -114.0 142.16 46.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -140.06 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 64.27 33.7 11.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -97.33 151.24 20.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -81.52 145.52 55.18 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.629 0.728 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 148.53 65.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.311 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.6 t70 39.82 48.93 2.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.8 m -132.02 126.49 34.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -58.53 142.62 48.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -145.83 118.97 8.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.931 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -89.51 109.81 20.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.789 HG21 HG21 ' A' ' 37' ' ' VAL . 16.1 mt -103.96 146.97 10.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -151.38 133.53 15.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.611 HG22 HG13 ' A' ' 52' ' ' ILE . 32.4 t -113.41 138.6 42.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -146.5 128.71 3.1 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -93.29 133.7 36.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.761 0.315 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 27.9 p -167.44 158.19 11.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.813 ' ND2' HD13 ' A' ' 46' ' ' ILE . 34.6 p30 -110.8 174.04 6.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -67.16 -25.78 66.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -68.31 -70.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.29 159.95 13.81 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.79 152.88 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.844 0.354 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.433 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -124.97 161.15 19.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.504 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 139.14 39.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.329 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 153.16 69.27 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.674 2.25 . . . . 0.0 112.333 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 94.1 p -73.29 166.24 23.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.805 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -47.56 148.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.2 ttm -74.41 117.11 15.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.807 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.746 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -106.75 140.57 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' ' CD ' ' A' ' 107' ' ' GLU . 2.1 pp20? -114.25 138.83 49.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -127.27 157.6 39.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -134.91 101.33 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.614 HG22 HD11 ' A' ' 35' ' ' ILE . 67.4 p -57.33 173.99 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -96.23 171.58 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -79.16 134.47 36.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.64 -64.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.4 p -49.55 177.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.26 -178.24 21.84 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.483 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 96.99 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.2 t -64.38 148.93 49.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 88.8 p -54.62 -44.85 73.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -135.12 140.52 45.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.875 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -94.89 129.24 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.11 74.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.541 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -164.22 136.61 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -138.21 175.55 9.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.92 -66.33 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 8' ' ' VAL . 33.3 m -61.16 124.3 15.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.357 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.54 130.31 13.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.087 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.3 t -78.11 127.59 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.1 mm -119.84 110.33 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -48.48 128.89 15.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -114.89 169.62 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.87 154.73 51.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -66.73 -48.24 69.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.468 ' HB3' HD13 ' A' ' 46' ' ' ILE . 3.9 m-20 -156.32 -177.16 6.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -165.05 145.98 6.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 0.0 111.127 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.3 Cg_endo -69.75 132.25 22.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.675 2.25 . . . . 0.0 112.283 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.7 p -124.63 -1.09 8.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -122.8 145.34 48.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.844 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 146.89 35.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 0.0 111.071 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.282 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.555 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -92.6 171.82 8.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.555 ' H ' HG22 ' A' ' 23' ' ' THR . 51.5 mt-10 57.06 41.59 27.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 106' ' ' ILE . 14.2 p -95.22 125.23 47.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.74 -179.67 16.49 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.532 HG21 ' HB2' ' A' ' 108' ' ' ALA . 31.6 m -137.17 119.87 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.389 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -104.09 125.63 50.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG21 ' O ' ' A' ' 109' ' ' PHE . 21.7 t -84.33 129.19 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -106.54 -46.24 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 m -147.45 -175.09 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 83.6 p -71.27 -18.3 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -133.62 33.3 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -153.04 127.62 9.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mt -143.82 125.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 m -97.26 145.91 25.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.64 HG21 HG21 ' A' ' 89' ' ' ILE . 30.4 t -126.98 132.75 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -119.48 148.95 42.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.564 ' CD2' HG11 ' A' ' 91' ' ' VAL . 46.6 p90 -159.12 161.11 36.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -93.18 143.28 26.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.505 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 23.5 m170 -67.27 130.33 42.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.1 m -71.32 160.14 5.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 pp -69.03 -15.74 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -87.04 113.09 22.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.67 2.35 48.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 16' ' ' ASP . 25.1 pt -77.15 -23.92 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 47' ' ' VAL . 22.3 m -55.21 125.13 9.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -77.22 -42.87 35.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 p -165.19 164.07 20.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.963 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 2.5 m-85 -103.08 139.51 38.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -108.0 128.32 54.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.954 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.632 HG13 HG22 ' A' ' 91' ' ' VAL . 4.7 mp -109.64 91.74 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm105 -74.92 117.12 16.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -125.76 137.45 53.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 9.4 p90 -169.31 136.74 1.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.39 155.11 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.116 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.06 -47.77 74.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.143 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.602 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 3.5 p-80 -61.47 -41.4 97.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.602 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 4.3 m-20 -52.89 173.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -122.65 153.81 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.76 -34.12 25.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.795 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -61.63 -40.16 93.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.795 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -94.54 14.23 21.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.092 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.94 133.97 35.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -91.23 168.94 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -137.56 137.07 38.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -114.94 101.55 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -88.88 129.01 35.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.0 m -134.02 155.02 39.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.603 HG23 ' HG2' ' A' ' 73' ' ' GLU . 0.0 OUTLIER -50.3 146.17 5.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -67.89 -3.08 8.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -89.11 -8.91 52.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.603 ' HG2' HG23 ' A' ' 70' ' ' THR . 6.4 mm-40 -91.15 116.45 28.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 20.0 m-85 -80.35 7.88 8.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.548 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.7 p -164.77 177.82 7.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -146.56 -175.6 4.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.109 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.9 ttp180 -147.78 145.8 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 75.5 mt -120.13 153.34 36.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -144.58 174.18 11.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 56.5 51.09 11.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.416 HD22 ' CD2' ' A' ' 87' ' ' TYR . 32.4 mt -110.46 159.18 17.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.7 mt -83.35 141.64 42.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.647 0.737 . . . . 0.0 110.915 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.49 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.3 Cg_endo -69.78 139.78 40.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.418 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 12.2 t0 52.48 50.42 18.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 92.1 m -137.44 132.53 33.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -73.32 120.76 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.416 ' CD2' HD22 ' A' ' 81' ' ' LEU . 16.7 m-85 -114.18 107.48 15.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -67.04 115.73 7.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.64 HG21 HG21 ' A' ' 37' ' ' VAL . 27.3 mt -113.0 141.53 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -147.65 118.56 7.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.632 HG22 HG13 ' A' ' 52' ' ' ILE . 85.6 t -94.85 120.05 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.61 120.96 2.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.963 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -86.97 136.8 32.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.319 . . . . 0.0 111.058 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 11.2 p -166.45 159.2 14.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 44.7 p-10 -111.01 167.55 10.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.1 t -59.49 -25.89 64.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.47 -71.36 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.3 157.71 15.65 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.6 p -101.26 153.94 19.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.357 . . . . 0.0 110.822 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -121.1 162.71 14.75 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.521 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 144.5 54.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.647 2.232 . . . . 0.0 112.365 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 158.89 55.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.0 p -83.69 174.31 10.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' OD1' ' CG1' ' A' ' 25' ' ' VAL . 7.2 p-10 -47.36 128.92 12.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 39.1 ttm -62.84 108.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.587 ' CD1' HG13 ' A' ' 25' ' ' VAL . 11.2 mt -105.99 146.3 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -122.85 127.53 49.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.532 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -110.14 148.9 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.545 ' O ' HG21 ' A' ' 29' ' ' VAL . 7.7 m-85 -117.05 128.05 54.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.6 p -89.9 167.78 12.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -82.66 169.87 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 113' ' ' ALA . 4.1 mmmm -87.26 99.31 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -35.37 140.81 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.7 p -172.82 151.13 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 128.85 154.13 8.19 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -24.43 29.96 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.377 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.7 t -84.07 -48.75 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.0 p -118.17 156.2 29.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -128.38 147.67 50.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.925 0.393 . . . . 0.0 110.815 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -119.39 143.39 47.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.94 164.31 13.67 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 m -83.53 91.87 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.9 t -74.83 118.05 17.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.38 148.99 20.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.0 m -128.22 128.93 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.97 116.02 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.126 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.0 m -89.31 128.76 41.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 42.2 pt -63.95 -23.65 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 p30 -113.56 129.52 56.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.0 t -105.94 175.57 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -87.63 144.06 26.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.098 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -83.96 -53.99 5.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.695 ' HB2' HD13 ' A' ' 46' ' ' ILE . 2.8 p30 -131.8 177.12 7.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -162.61 148.92 10.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.55 0.691 . . . . 0.0 111.125 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.482 ' HG3' ' CB ' ' A' ' 94' ' ' CYS . 53.9 Cg_endo -69.75 131.52 21.41 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.383 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.6 p -117.67 -40.26 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 21' ' ' ALA . 10.3 tt0 -92.4 151.71 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.843 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -112.13 149.0 40.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 95.04 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.625 2.217 . . . . 0.0 112.381 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.693 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.24 179.13 7.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.146 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.693 ' H ' HG22 ' A' ' 23' ' ' THR . 30.0 mt-10 58.56 26.79 14.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.408 HG13 ' CD1' ' A' ' 106' ' ' ILE . 8.9 p -77.0 147.56 7.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -147.55 174.26 27.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 37' ' ' VAL . 33.3 m -147.4 132.97 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 111.116 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' ILE . 3.8 ptmt -111.34 160.57 16.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -113.79 90.18 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.477 HD21 ' HD3' ' A' ' 28' ' ' LYS . 38.2 mt -67.69 -46.53 72.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.6 m -146.78 -176.33 5.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 m -72.55 -12.57 61.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 t -125.84 -23.75 3.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' O ' ' CG1' ' A' ' 35' ' ' ILE . 19.1 mt-10 -96.41 146.64 24.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.787 HG23 ' O ' ' A' ' 28' ' ' LYS . 35.8 mt -160.33 128.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.477 ' HB3' ' CD ' ' A' ' 28' ' ' LYS . 5.5 t -102.48 144.46 30.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.798 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.778 HG21 HG21 ' A' ' 89' ' ' ILE . 51.0 t -131.48 109.34 15.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.148 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -99.33 140.23 33.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.589 ' CH2' ' C ' ' A' ' 75' ' ' SER . 49.6 p90 -138.98 176.93 8.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -107.12 130.98 54.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.459 ' CE1' ' O ' ' A' ' 71' ' ' SER . 4.5 m170 -58.79 136.47 57.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 44' ' ' GLU . 30.7 m -79.01 138.92 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.079 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.6 pp -44.68 -24.38 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.597 ' OE1' HD11 ' A' ' 46' ' ' ILE . 8.4 mt-10 -90.6 109.63 20.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -87.03 10.13 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.695 HD13 ' HB2' ' A' ' 16' ' ' ASP . 14.4 pt -75.9 -21.79 15.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.9 m -53.44 148.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 49' ' ' SER . 11.6 pt-20 -89.64 -38.02 14.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.447 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 1.3 t -170.53 159.72 6.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.948 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 88.4 m-85 -96.47 111.69 23.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.939 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -82.26 139.32 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 52' ' ' ILE . 3.4 mp -122.39 90.03 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.118 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 52.2 ttm-85 -73.38 123.77 24.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.831 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' ' HB2' ' A' ' 65' ' ' ASN . 10.4 p90 -135.07 141.8 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.463 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 21.7 p90 -171.45 151.32 3.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.3 148.23 52.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.51 -50.7 30.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -62.53 -40.79 97.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -53.06 159.38 1.22 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -105.13 157.73 17.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -54.11 -36.11 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.79 -23.16 66.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -105.78 9.22 33.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.3 129.22 34.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.442 ' HB2' ' CE1' ' A' ' 54' ' ' TYR . 5.6 m120 -98.56 137.25 37.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -110.69 124.14 51.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.3 t -111.31 114.12 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -99.31 151.84 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' THR . 19.2 m -136.48 148.07 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' VAL . 24.9 p -34.29 146.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 61.2 p -62.84 -26.15 68.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.83 -25.58 65.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -77.96 118.61 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.449 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 11.1 m-85 -87.87 18.98 3.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.589 ' C ' ' CH2' ' A' ' 39' ' ' TRP . 24.4 p -165.37 178.58 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.854 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -136.38 176.47 8.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.5 ttp85 -148.14 127.25 12.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 36.0 mt -106.75 146.66 30.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -140.64 159.59 41.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 64.5 54.58 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.5 mt -110.58 165.54 11.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.4 mt -88.61 140.71 29.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.605 0.717 . . . . 0.0 110.945 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 148.39 65.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.447 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 13.6 t70 43.65 49.04 6.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 89.4 m -126.16 126.01 43.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -68.95 106.27 2.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -105.62 122.03 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -85.91 96.78 9.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.778 HG21 HG21 ' A' ' 37' ' ' VAL . 21.4 mt -90.93 137.84 20.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 18.5 tt0 -146.04 120.4 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.438 HG11 ' CG ' ' A' ' 39' ' ' TRP . 58.9 t -92.76 136.98 23.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.79 128.39 3.09 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.948 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -104.46 142.38 34.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.085 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' PRO . 6.1 p -173.58 164.37 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' ' OD1' ' A' ' 16' ' ' ASP . 51.1 p-10 -110.98 174.38 5.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.4 t -65.3 -32.39 74.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -59.06 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.96 162.73 13.38 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.8 m -96.56 158.69 15.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.93 0.395 . . . . 0.0 110.853 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -125.21 155.72 18.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.64 54.94 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.735 2.29 . . . . 0.0 112.334 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 53.5 Cg_endo -69.74 152.63 69.44 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.287 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.3 p -79.16 174.93 11.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -50.97 118.99 3.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 36.4 ttm -62.39 108.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.408 ' CD1' HG13 ' A' ' 25' ' ' VAL . 16.4 mt -101.79 145.59 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.45 137.23 44.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -118.89 153.45 34.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -131.78 106.4 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.612 HG22 HD11 ' A' ' 35' ' ' ILE . 40.6 p -67.13 176.84 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? -95.41 169.73 9.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -81.9 117.57 22.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.75 115.95 1.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.4 t -81.24 132.78 35.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -89.72 -166.27 41.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -43.39 2.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.357 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.6 t -94.83 160.47 14.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.1 p -127.02 156.76 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.2 p -123.87 145.76 48.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.883 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.8 p -140.9 158.75 43.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.82 118.49 6.2 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 97.2 p -71.66 110.93 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.8 t 36.7 44.82 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.823 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.32 51.79 0.83 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.7 t -122.28 128.94 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.23 139.49 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.9 m -103.76 164.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 15.7 pt -94.78 27.56 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -142.51 114.85 8.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.0 p -64.54 153.72 38.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.29 170.23 12.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -124.75 -44.6 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -155.63 -176.05 5.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.42 145.19 22.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.589 0.709 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 131.9 22.13 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.674 2.249 . . . . 0.0 112.335 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.5 t -114.55 -32.14 5.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -97.31 141.43 30.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.89 148.84 55.03 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.074 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.648 2.232 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.682 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -100.09 177.42 5.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.682 ' H ' HG22 ' A' ' 23' ' ' THR . 64.8 mt-10 52.53 39.19 27.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.685 HG22 ' CB ' ' A' ' 39' ' ' TRP . 14.0 t -71.32 159.1 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.532 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -125.96 152.66 18.17 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -133.24 122.41 45.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -106.82 131.38 53.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.7 t -88.98 86.99 2.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.24 -54.23 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.4 m -154.46 -177.45 6.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.8 p -53.95 -39.32 65.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.794 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 96.0 p -120.47 41.39 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -156.83 118.24 3.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.582 HD12 HD13 ' A' ' 81' ' ' LEU . 78.9 mt -138.71 130.38 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.552 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 44.1 t -96.56 148.46 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.593 HG11 ' CG2' ' A' ' 91' ' ' VAL . 25.9 t -128.76 98.8 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.142 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 8.4 m-70 -100.54 121.63 41.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.75 ' CH2' HD11 ' A' ' 52' ' ' ILE . 46.7 p90 -117.89 -175.09 2.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -107.74 131.17 54.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.644 ' CD2' ' CD2' ' A' ' 74' ' ' TYR . 5.5 m170 -60.11 136.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.1 m -93.08 141.11 15.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -51.97 -22.9 4.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -74.4 107.52 6.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -87.11 5.57 37.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.6 pt -78.62 -25.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.518 ' CG1' ' HB1' ' A' ' 93' ' ' ALA . 20.2 m -51.74 133.28 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.132 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -85.74 -37.94 18.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.9 p -163.86 164.01 23.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.545 ' O ' HD12 ' A' ' 52' ' ' ILE . 85.4 m-85 -105.9 110.02 22.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -81.37 124.24 29.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.75 HD11 ' CH2' ' A' ' 39' ' ' TRP . 4.3 mp -112.06 98.42 7.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -74.53 166.07 24.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.541 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.0 p90 -175.2 135.29 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.972 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.535 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 9.6 p90 -167.26 165.85 15.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.61 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -77.52 150.84 34.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.54 -34.28 17.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.61 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 8.7 p-80 -74.25 -38.97 63.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 28.3 m-20 -62.41 161.07 12.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -102.9 159.54 15.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -61.51 -29.66 70.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -67.17 -33.34 75.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.55 13.61 34.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.48 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 36.9 m-80 -80.57 159.58 25.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.7 ptt-85 -152.91 149.94 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 51.0 t -115.82 131.59 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -104.14 103.28 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -102.47 176.38 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.173 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.7 p -66.19 131.08 45.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -49.17 -26.61 2.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.1 mm-40 -66.75 -33.92 76.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -67.13 102.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.644 ' CD2' ' CD2' ' A' ' 41' ' ' HIS . 13.0 m-85 -55.89 -26.07 45.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.0 p -139.94 170.08 16.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -132.35 -177.48 4.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.437 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.5 ttp-105 -137.14 143.19 42.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 51.5 mt -116.47 149.64 39.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -143.67 168.83 18.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 66.29 46.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.582 HD13 HD12 ' A' ' 35' ' ' ILE . 5.3 mt -110.51 157.47 19.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.18 144.23 46.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.587 0.708 . . . . 0.0 110.912 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.58 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.8 Cg_endo -69.74 152.22 69.35 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 83' ' ' PRO . 24.8 t70 35.76 51.8 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 95.9 m -132.26 138.93 48.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -71.59 130.79 42.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -135.44 114.82 12.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.535 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 72.4 m-85 -82.82 106.64 14.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.515 HG21 HG21 ' A' ' 37' ' ' VAL . 16.8 mt -98.04 136.11 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.07 133.33 42.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.593 ' CG2' HG11 ' A' ' 37' ' ' VAL . 43.9 t -121.49 121.05 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.57 129.65 3.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.544 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -73.58 154.06 39.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.735 0.302 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 7.9 p -169.56 129.87 1.04 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.709 HD22 ' HB3' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -109.45 156.83 19.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 40.6 t -52.05 -25.71 9.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.846 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.709 ' HB3' HD22 ' A' ' 95' ' ' ASN . . . -75.37 -74.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.615 ' H ' ' ND2' ' A' ' 95' ' ' ASN . . . -120.97 149.86 17.33 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 31.8 p -95.23 152.67 18.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -123.54 159.72 18.15 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 146.0 58.84 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.356 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 160.47 49.55 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.667 2.245 . . . . 0.0 112.334 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.5 p -75.94 -175.03 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -65.69 131.47 46.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 47.6 ttm -56.53 112.44 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 24.2 mt -108.28 140.84 25.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.134 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -115.6 137.85 51.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.2 153.97 43.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -129.8 112.04 13.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 49.3 p -67.4 171.42 6.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -95.11 173.03 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.937 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -75.97 117.64 17.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.58 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -59.76 93.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.099 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -162.59 145.0 10.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.824 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 106.88 175.88 22.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.507 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 166.63 26.92 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.661 2.24 . . . . 0.0 112.346 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.2 p -62.42 101.38 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.1 t -96.62 153.79 17.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.424 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -159.83 122.21 3.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -128.28 153.79 46.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.05 147.83 17.63 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.6 p -105.53 146.07 30.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.899 0.38 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -105.35 42.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.44 82.45 0.13 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.3 t -79.55 128.99 38.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 111.135 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -143.52 134.58 25.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -84.27 153.56 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 69.7 mt -120.38 119.58 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -106.3 134.74 48.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 t -97.68 98.24 9.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -163.56 140.46 7.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -80.84 -36.14 31.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.473 ' OD2' HG21 ' A' ' 46' ' ' ILE . 12.3 t0 -173.2 172.31 3.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' C ' HD11 ' A' ' 46' ' ' ILE . . . -152.77 143.54 15.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.89 46.55 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.6 t -122.43 -27.91 4.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.84 146.15 24.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.4 148.96 37.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.594 0.712 . . . . 0.0 111.091 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' VAL . 53.9 Cg_endo -69.75 117.39 5.06 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.728 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.56 -179.77 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.121 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.728 ' H ' HG22 ' A' ' 23' ' ' THR . 28.6 mt-10 51.04 38.16 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.487 ' O ' HD11 ' A' ' 106' ' ' ILE . 2.7 p -97.44 128.27 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -136.92 -179.15 16.44 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG12 HG13 ' A' ' 37' ' ' VAL . 22.1 m -138.41 130.87 39.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.0 tttt -111.94 128.15 56.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -85.98 113.74 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.7 mt -87.76 -60.84 1.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.2 m -133.62 176.41 8.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.1 p -58.79 -24.45 61.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.843 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.8 m -128.74 29.95 5.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.9 mt-10 -146.78 131.14 17.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.74 HD11 HG22 ' A' ' 110' ' ' THR . 53.4 mt -150.86 125.62 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.5 t -96.27 131.69 42.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.506 HG13 HG12 ' A' ' 27' ' ' VAL . 38.4 t -111.93 102.34 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.121 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -95.21 157.1 16.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.608 ' CD2' HG11 ' A' ' 91' ' ' VAL . 40.6 p90 -160.73 162.91 32.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -87.81 148.93 24.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.545 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 5.7 m170 -74.14 136.14 42.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.2 m -76.66 172.04 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 44' ' ' GLU . 4.6 pp -84.0 -24.19 30.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.1 pm0 -82.32 133.03 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -103.04 3.08 35.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG21 ' OD2' ' A' ' 16' ' ' ASP . 8.6 pt -76.59 -20.55 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.165 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.513 HG11 ' HB1' ' A' ' 93' ' ' ALA . 17.1 m -54.37 158.95 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.6 -43.21 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 m -167.63 162.87 14.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.707 ' O ' HD12 ' A' ' 52' ' ' ILE . 75.2 m-85 -98.68 110.12 22.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -79.52 101.41 8.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.707 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -87.41 95.36 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 49.4 ttm-85 -82.5 131.79 35.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -144.83 138.04 26.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -159.7 160.73 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -75.73 141.84 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 -39.69 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.573 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 13.3 p-80 -72.2 -44.99 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.573 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 78.6 m-20 -53.79 157.7 2.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.4 mtmt -103.44 160.81 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.96 -32.91 64.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 18.1 pt-20 -64.27 -47.71 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.464 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -86.73 17.92 3.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.32 131.3 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -100.2 144.66 28.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.474 ' NE ' ' C ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -129.69 171.53 12.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.0 t -133.48 102.2 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -79.88 101.15 8.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.1 m -100.36 166.95 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -61.31 134.12 56.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.1 p -51.18 -26.46 6.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -66.0 -33.92 76.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -65.3 111.02 2.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.6 m-85 -68.27 -16.61 64.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 10.8 m -146.62 172.14 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -130.11 169.11 15.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.3 ttp85 -129.45 125.93 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.2 mt -103.12 151.55 22.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -152.47 176.72 11.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 55.34 48.08 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 35' ' ' ILE . 25.7 mt -107.35 169.43 8.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 53.0 mt -93.96 143.71 26.92 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.594 0.711 . . . . 0.0 110.975 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 146.37 60.26 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.333 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.8 t0 43.38 50.73 6.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 60.3 m -129.88 130.03 44.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.147 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -73.62 122.22 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -120.96 124.77 45.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -86.99 103.77 15.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 90' ' ' GLU . 23.8 mt -97.39 156.62 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.482 ' N ' HG22 ' A' ' 89' ' ' ILE . 6.2 pt-20 -160.05 140.61 11.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.828 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.614 HG22 HG13 ' A' ' 52' ' ' ILE . 97.4 t -128.73 107.01 15.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.56 122.42 3.59 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.513 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -60.18 125.34 23.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 4.4 t -151.32 134.9 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.405 ' OD1' ' N ' ' A' ' 95' ' ' ASN . 12.3 p-10 -110.32 174.75 5.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 39.8 t -69.47 -30.6 68.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.1 -64.17 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.38 163.08 14.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.473 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 44.1 t -101.64 115.65 31.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -84.46 150.65 25.94 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 146.6 60.8 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 149.74 67.4 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.719 2.279 . . . . 0.0 112.337 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 56.1 p -83.47 -176.72 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -54.59 116.57 2.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 23.1 ttm -58.49 103.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 25' ' ' VAL . 11.1 mt -98.95 139.6 20.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.22 148.72 32.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -128.2 152.34 48.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -126.99 103.51 7.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.74 HG22 HD11 ' A' ' 35' ' ' ILE . 72.2 p -66.36 170.26 6.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -90.93 170.2 10.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -82.72 129.7 35.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.78 128.83 38.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 78.6 p -115.54 153.36 31.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.61 143.22 13.64 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.85 7.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.9 p -107.42 96.43 6.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.808 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.4 p -110.28 159.64 17.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -133.33 121.96 23.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.85 0.357 . . . . 0.0 110.88 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -67.73 162.47 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.3 -137.95 5.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 m 45.73 42.63 8.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.351 . . . . 0.0 110.817 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -74.65 157.91 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.78 80.08 1.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.1 t -78.96 117.3 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -163.91 117.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.071 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.5 t -150.93 139.73 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.7 mt -56.24 134.86 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -68.23 -58.74 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 71.0 m 59.98 44.87 12.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.59 129.07 40.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.458 ' CD ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -57.28 -53.75 54.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.458 ' N ' ' CD ' ' A' ' 15' ' ' GLN . 4.0 m-20 -161.36 160.22 29.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.76 141.62 39.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 111.109 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 137.52 35.58 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.707 2.272 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.3 t -124.47 -24.18 4.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -103.99 131.68 50.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.78 149.04 38.4 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.611 0.72 . . . . 0.0 111.089 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 100.93 0.85 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.664 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.6 177.52 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.664 ' H ' HG22 ' A' ' 23' ' ' THR . 15.0 mt-10 56.96 43.8 24.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.07 134.09 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.37 -170.93 12.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 27' ' ' VAL . 32.4 m -148.87 123.17 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.915 0.388 . . . . 0.0 111.104 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.835 ' O ' HG23 ' A' ' 35' ' ' ILE . 17.7 tptt -98.62 146.81 25.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.525 HG11 ' HE3' ' A' ' 111' ' ' LYS . 84.9 t -105.51 94.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 34' ' ' GLU . 76.6 mt -69.66 -54.41 14.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -157.51 -174.98 5.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.1 p -52.28 -43.94 64.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.805 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.453 ' C ' ' OE1' ' A' ' 34' ' ' GLU . 47.3 m -117.82 39.9 3.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.453 ' OE1' ' C ' ' A' ' 33' ' ' SER . 45.3 mp0 -151.41 125.83 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.835 HG23 ' O ' ' A' ' 28' ' ' LYS . 82.5 mt -150.0 134.21 8.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -101.34 142.37 32.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.576 HG21 HG21 ' A' ' 52' ' ' ILE . 60.5 t -117.39 97.22 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -92.25 142.04 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.418 ' CZ2' ' HB2' ' A' ' 50' ' ' TYR . 29.6 p90 -149.81 163.9 36.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -90.1 136.15 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -64.7 133.85 52.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.58 158.5 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' ' 44' ' ' GLU . 4.0 pp -67.5 -26.28 66.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' HG2' HD12 ' A' ' 43' ' ' LEU . 5.6 mm-40 -80.55 98.99 7.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.14 0.04 29.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.8 pp -77.07 -16.82 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.599 HG11 ' HB1' ' A' ' 93' ' ' ALA . 18.4 m -51.54 147.78 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -84.35 -47.35 10.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.3 m -173.39 162.4 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.592 ' O ' HD12 ' A' ' 52' ' ' ILE . 95.8 m-85 -91.92 107.49 19.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.883 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -78.56 118.31 20.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.787 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -102.43 95.86 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -86.79 124.76 33.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.549 ' HE1' HG23 ' A' ' 67' ' ' VAL . 22.7 p90 -140.77 136.19 32.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.4 p90 -160.03 158.85 31.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.947 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.817 ' HB1' ' CE1' ' A' ' 58' ' ' HIS . . . -64.77 145.97 55.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.065 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.28 -40.58 17.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.817 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 16.1 p-80 -72.49 -41.25 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.829 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 1.9 m-20 -53.41 168.6 0.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -115.09 168.77 9.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.7 -28.63 70.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.579 ' OE2' ' HB2' ' A' ' 63' ' ' ALA . 3.1 pp20? -68.29 -29.01 67.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.579 ' HB2' ' OE2' ' A' ' 62' ' ' GLU . . . -103.7 15.12 29.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.065 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -87.03 134.59 33.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -91.77 158.77 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -137.55 134.95 36.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -109.02 92.05 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -77.34 105.83 8.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.14 159.78 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.5 t -51.29 135.16 27.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 m -55.21 -20.24 10.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -68.66 -26.15 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -75.19 96.48 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -49.98 -27.01 4.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.945 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 89.6 p -142.74 170.21 16.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.819 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.75 171.1 13.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -126.78 143.18 51.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD22 ' CE1' ' A' ' 54' ' ' TYR . 26.5 mt -116.52 145.53 43.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -141.56 162.97 34.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 69.06 42.69 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD13 HD12 ' A' ' 35' ' ' ILE . 15.7 mt -105.32 144.16 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.7 mt -68.15 143.97 96.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.905 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.73 154.49 67.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.363 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.7 t0 34.53 48.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.9 m -127.15 138.65 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -79.62 125.68 29.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -123.45 118.64 27.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -79.55 96.52 6.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.502 HD12 ' HB2' ' A' ' 108' ' ' ALA . 36.3 mt -86.98 149.6 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -158.99 126.66 4.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.787 HG22 HG13 ' A' ' 52' ' ' ILE . 76.1 t -114.65 127.42 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.73 120.75 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.476 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.599 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -77.79 122.29 25.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.6 t -153.76 140.22 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.658 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 35.3 p-10 -104.12 172.36 6.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 46.3 t -70.45 -28.18 64.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.658 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -62.7 -72.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -114.03 159.71 13.56 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 27.9 p -93.98 129.86 40.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.17 151.82 17.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.536 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 141.56 45.37 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 168.55 21.27 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.671 2.247 . . . . 0.0 112.308 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 57.2 p -88.62 -174.75 4.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -64.67 143.34 57.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 35.5 ttm -74.73 109.64 8.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.606 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -103.95 150.62 7.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.181 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.404 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 0.1 OUTLIER -117.5 144.64 44.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.502 ' HB2' HD12 ' A' ' 89' ' ' ILE . . . -123.97 154.03 40.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -132.1 105.09 7.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.685 HG22 HD11 ' A' ' 35' ' ' ILE . 65.2 p -68.1 172.23 5.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.188 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.525 ' HE3' HG11 ' A' ' 29' ' ' VAL . 11.7 mmtp -92.52 167.67 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -74.63 132.82 42.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -59.82 -59.75 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.0 p -142.83 148.69 37.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -177.53 -174.75 44.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -10.82 29.44 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.325 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.0 t -74.37 138.31 43.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.9 m -154.46 144.01 21.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.435 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.1 p 45.85 42.1 8.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -85.7 144.32 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.05 130.7 2.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -80.16 170.22 16.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.942 0.401 . . . . 0.0 110.837 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.8 t -128.94 144.89 51.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.47 57.64 3.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.86 -39.79 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.086 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.73 120.33 23.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.5 t -76.95 130.67 36.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.12 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 14' ' ' ALA . 42.2 pt -85.91 43.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -59.55 -50.01 75.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.3 p -64.28 -9.2 16.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.606 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . . . -99.03 132.47 44.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -77.62 -47.64 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -151.13 179.94 7.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.86 148.42 17.06 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.7 Cg_endo -69.73 136.11 32.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.692 2.261 . . . . 0.0 112.317 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 m -124.41 -21.0 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -104.88 139.15 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.16 148.99 35.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.612 0.72 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 106.79 1.71 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.37 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -81.47 174.9 11.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.627 ' H ' HG22 ' A' ' 23' ' ' THR . 19.7 mt-10 56.44 39.23 30.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.531 ' O ' HG13 ' A' ' 25' ' ' VAL . 11.6 p -95.56 116.9 38.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.65 168.15 23.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.671 HG12 HG22 ' A' ' 37' ' ' VAL . 27.8 m -122.25 139.88 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -117.44 128.79 55.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.964 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.5 t -82.74 107.31 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.133 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.81 -49.07 7.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 t -152.96 176.76 11.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.9 p -54.29 -33.31 58.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -125.46 30.15 5.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -141.94 121.4 13.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.745 HD11 HG22 ' A' ' 110' ' ' THR . 57.9 mt -144.7 124.94 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -102.3 141.4 35.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.671 HG22 HG12 ' A' ' 27' ' ' VAL . 26.0 t -120.03 113.13 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -100.98 150.95 22.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 35.8 p90 -157.18 160.76 39.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.962 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -91.09 131.86 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.431 ' CE1' ' O ' ' A' ' 71' ' ' SER . 9.9 m170 -55.33 129.63 39.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.3 m -83.87 143.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -50.86 -21.62 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' VAL . 8.3 mm-40 -70.67 92.92 0.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.91 -14.08 60.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.456 HD12 ' ND2' ' A' ' 95' ' ' ASN . 23.4 pt -75.53 -23.5 16.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 47' ' ' VAL . 18.6 m -51.11 114.2 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -54.89 -58.45 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.45 ' CB ' ' OE1' ' A' ' 68' ' ' GLN . 2.8 p -161.33 167.88 25.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.929 ' CD2' ' HB2' ' A' ' 93' ' ' ALA . 59.7 m-85 -100.7 115.19 29.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 -88.21 124.92 34.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.738 HG13 HG22 ' A' ' 91' ' ' VAL . 5.4 mp -106.65 108.32 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -92.87 138.83 31.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -147.83 138.12 22.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 20.2 p90 -162.78 142.4 9.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -54.43 148.67 11.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.91 66.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.469 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 6.1 p-80 -75.55 -33.07 60.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 6.8 m-20 -66.06 169.45 6.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -107.58 161.04 15.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -65.34 -19.5 65.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -71.55 -35.36 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -102.46 16.69 25.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.97 133.64 41.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -88.74 154.32 20.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.08 146.68 41.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 20.1 t -141.17 124.22 15.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 68' ' ' GLN . 1.7 pp0? -100.87 167.88 10.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 68' ' ' GLN . 19.0 m -149.78 167.28 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.0 p -57.45 141.13 48.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 87.1 p -58.85 -13.24 5.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -86.7 -16.31 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -81.94 103.27 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -68.87 -4.74 17.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -155.92 158.18 37.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -125.01 171.86 9.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.072 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 -128.21 141.04 51.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 mt -116.38 145.42 43.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -145.42 165.02 29.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 71.57 42.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.58 176.32 5.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 98.2 mt -102.0 144.64 29.0 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 110.957 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 134.19 27.37 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 15.8 t0 52.17 48.53 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.6 m -126.55 138.98 53.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -80.48 121.88 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -125.06 120.28 31.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -78.3 106.35 10.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.606 HG21 HG21 ' A' ' 37' ' ' VAL . 17.2 mt -100.0 137.75 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -150.16 129.53 12.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.738 HG22 HG13 ' A' ' 52' ' ' ILE . 87.4 t -102.16 140.66 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.22 122.29 1.69 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.929 ' HB2' ' CD2' ' A' ' 50' ' ' TYR . . . -95.47 130.76 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 111.062 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.28 154.4 25.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' ND2' HD12 ' A' ' 46' ' ' ILE . 43.5 p-10 -111.0 161.1 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.5 t -54.76 -16.0 2.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -76.43 -73.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.34 150.48 17.45 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.448 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 21.9 p -83.4 151.05 25.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 110.876 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.472 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -120.51 155.62 16.18 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 139.66 40.89 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 139.46 40.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -56.71 -178.42 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.87 144.2 55.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.8 ttm -73.97 105.47 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 mt -105.36 140.08 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.139 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -109.15 134.98 51.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -119.25 153.19 35.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -129.97 110.5 11.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.745 HG22 HD11 ' A' ' 35' ' ' ILE . 76.9 p -70.14 162.52 28.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -82.24 170.74 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 113' ' ' ALA . 36.1 mttp -73.69 91.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.906 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 112' ' ' LYS . . . 34.18 36.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.076 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' LYS . 1.6 t -66.64 126.61 29.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.08 177.22 21.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 160.74 48.6 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.739 2.293 . . . . 0.0 112.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.4 p -134.59 123.84 24.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 31.8 m -58.85 136.24 57.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.47 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -123.81 161.72 24.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.836 0.35 . . . . 0.0 110.883 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.4 p -160.04 172.11 18.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 73.44 0.16 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 t -109.38 120.06 41.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.8 p -87.73 113.04 23.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.66 71.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -84.31 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.087 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.5 121.96 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 90.1 t -87.57 120.78 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 22.9 mt -51.55 119.89 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -136.36 154.85 50.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 64.4 m -149.02 160.82 42.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -165.97 148.29 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -60.9 -50.31 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -171.08 -179.41 2.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.519 ' HB2' ' HA3' ' A' ' 98' ' ' GLY . . . -142.21 145.01 33.71 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 140.51 42.76 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 m -123.88 -17.77 6.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.5 ' OE2' HD23 ' A' ' 43' ' ' LEU . 9.1 tt0 -103.93 146.23 28.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.46 146.3 34.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.625 0.726 . . . . 0.0 111.119 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 112.49 3.08 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.622 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.3 m -97.37 172.58 7.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.622 ' H ' HG22 ' A' ' 23' ' ' THR . 27.6 mt-10 62.62 37.96 12.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 p -96.62 121.53 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.39 163.91 21.03 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.511 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.597 HG21 ' HB2' ' A' ' 108' ' ' ALA . 27.9 m -121.14 120.87 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.0 ttpt -98.43 139.06 34.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.2 t -91.53 105.55 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.132 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -78.45 -57.6 3.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -150.65 178.18 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.4 p -52.28 -31.48 32.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.7 m -126.13 34.55 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.44 ' C ' HG13 ' A' ' 35' ' ' ILE . 53.8 mm-40 -148.59 136.36 20.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.739 HD11 HG22 ' A' ' 110' ' ' THR . 44.0 mt -156.84 124.09 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 t -98.57 135.75 39.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.58 HG21 HG21 ' A' ' 89' ' ' ILE . 26.2 t -115.96 110.46 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -103.76 142.48 34.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.577 ' CD2' HG11 ' A' ' 91' ' ' VAL . 42.8 p90 -144.25 169.41 17.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 41' ' ' HIS . 5.7 tp10 -91.65 151.99 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.593 ' ND1' ' CZ ' ' A' ' 74' ' ' TYR . 10.1 m170 -80.13 131.58 35.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 44' ' ' GLU . 25.8 m -81.09 148.14 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.5 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -57.75 -14.36 5.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 53.0 mm-40 -91.91 120.91 33.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -97.65 4.04 50.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 1.002 HD12 ' ND2' ' A' ' 95' ' ' ASN . 8.6 pt -78.34 -24.1 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 47' ' ' VAL . 32.1 m -50.81 112.49 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 49' ' ' SER . 22.1 pt-20 -51.2 -49.03 61.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 48' ' ' GLU . 85.7 p -169.91 171.43 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 84.8 m-85 -104.27 109.08 20.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -89.85 119.03 29.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.437 HD11 ' CH2' ' A' ' 39' ' ' TRP . 5.3 mp -102.86 102.97 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 16.9 ttp-105 -88.76 130.31 35.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.721 ' HE1' HG23 ' A' ' 67' ' ' VAL . 1.5 p90 -139.28 147.8 42.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.454 ' CZ3' ' HG2' ' A' ' 53' ' ' ARG . 16.4 p90 -169.68 148.34 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.94 147.97 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.17 -29.95 15.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 13.1 p-80 -80.73 -37.04 31.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -62.11 159.25 14.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -103.51 167.79 9.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -64.58 -26.15 68.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.76 -38.75 80.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.95 2.55 55.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.05 140.65 57.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -88.52 -177.26 5.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 -164.91 122.63 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.721 HG23 ' HE1' ' A' ' 54' ' ' TYR . 61.1 t -105.29 122.78 59.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 141.1 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.6 m -139.78 170.39 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.8 p -67.29 139.02 57.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.1 p -52.26 -18.91 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -75.05 -33.45 61.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.88 102.24 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.593 ' CZ ' ' ND1' ' A' ' 41' ' ' HIS . 18.8 m-85 -62.24 -14.27 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.94 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.5 p -146.98 179.24 7.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.79 174.31 10.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -131.14 139.56 49.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 43.9 mt -111.35 134.25 53.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -133.4 162.45 31.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 67.73 53.45 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -111.23 175.45 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 46.5 mt -100.93 143.2 26.12 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 139.85 40.98 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.321 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.4 t0 46.89 54.9 8.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.3 m -137.39 133.52 34.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.556 ' OE1' ' CD1' ' A' ' 109' ' ' PHE . 3.9 tp60 -70.82 136.05 48.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -134.03 120.0 19.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -81.8 104.52 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 37' ' ' VAL . 13.1 mt -100.17 140.75 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -144.35 130.33 19.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.577 HG11 ' CD2' ' A' ' 39' ' ' TRP . 70.0 t -115.11 110.34 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.34 128.53 5.25 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.598 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.12 130.65 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.77 0.319 . . . . 0.0 111.115 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 21.5 t -156.43 134.32 11.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 1.002 ' ND2' HD12 ' A' ' 46' ' ' ILE . 41.9 p-10 -104.9 150.84 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.9 t -51.17 -23.76 3.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.67 -74.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.519 ' HA3' ' HB2' ' A' ' 17' ' ' ALA . . . -110.6 163.66 12.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.57 144.75 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.45 149.61 19.03 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 136.6 33.54 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.337 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 160.33 50.11 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.743 2.295 . . . . 0.0 112.315 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 98.5 p -72.44 -176.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.17 118.09 14.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 46.7 ttm -47.57 115.01 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 12.0 mt -110.19 144.18 18.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' HB2' ' NE2' ' A' ' 86' ' ' GLN . 9.5 pt-20 -113.06 150.38 32.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.597 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -140.91 150.68 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.556 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 11.5 m-85 -122.92 111.29 16.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.739 HG22 HD11 ' A' ' 35' ' ' ILE . 41.5 p -61.3 168.97 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -81.17 179.68 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -93.45 127.65 39.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.53 88.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.095 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -64.76 148.71 50.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -128.47 177.96 17.45 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 114.47 3.7 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p -84.71 4.44 32.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 63.3 m -122.48 94.57 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.498 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -116.66 167.87 10.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.6 p -83.42 135.02 34.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.31 177.02 17.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -93.75 170.13 9.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.846 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -146.2 142.42 28.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.53 79.2 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 p -102.43 141.27 18.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 111.087 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -174.89 109.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 10' ' ' VAL . 33.3 m -62.19 119.1 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.4 pt -62.24 163.69 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -147.25 160.94 41.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.5 t -148.71 114.58 5.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.821 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -162.31 162.02 27.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.07 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -84.2 -46.72 11.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -142.97 169.05 18.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.457 ' CB ' ' HA3' ' A' ' 98' ' ' GLY . . . -158.01 144.11 12.68 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.409 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.8 Cg_endo -69.74 129.21 17.22 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.0 t -113.3 -22.61 10.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -111.06 156.39 21.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.78 147.61 66.84 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.565 0.698 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 99.63 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.714 2.276 . . . . 0.0 112.329 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.521 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -97.24 169.4 9.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.521 ' H ' HG22 ' A' ' 23' ' ' THR . 27.8 mt-10 56.72 39.89 29.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.725 HG22 ' CB ' ' A' ' 39' ' ' TRP . 12.9 t -70.13 157.2 6.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.493 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -123.61 154.43 17.45 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.465 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 37' ' ' VAL . 11.7 m -137.24 123.81 28.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' HG23 ' A' ' 35' ' ' ILE . 19.7 tttt -110.31 130.66 55.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -92.39 108.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.9 mt -85.29 -49.5 8.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -149.0 177.77 9.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 67.3 p -56.87 -25.07 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.0 m -131.73 35.25 3.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -151.65 116.83 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG22 ' A' ' 110' ' ' THR . 56.4 mt -143.32 128.49 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.1 t -94.7 143.62 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.776 HG21 HG21 ' A' ' 89' ' ' ILE . 59.2 t -122.12 107.63 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.092 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -104.9 115.19 29.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.758 ' CE3' HG21 ' A' ' 91' ' ' VAL . 48.3 p90 -114.0 -176.31 2.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -105.9 125.02 50.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -57.29 131.83 51.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.54 135.78 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 44' ' ' GLU . 3.4 pp -47.34 -21.84 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' N ' HD12 ' A' ' 43' ' ' LEU . 17.9 mm-40 -70.74 106.61 3.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -90.24 8.98 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 HD13 ' ND2' ' A' ' 95' ' ' ASN . 2.7 pp -91.76 -20.35 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.096 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -53.74 145.16 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -84.58 -51.55 6.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.919 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.1 p -157.29 -177.7 6.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 1.018 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 94.4 m-85 -117.21 109.5 16.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.96 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.457 ' NE2' ' HD3' ' A' ' 66' ' ' ARG . 29.4 tt0 -82.84 108.04 15.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.628 HG13 HG22 ' A' ' 91' ' ' VAL . 4.2 mp -89.96 98.51 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.2 ttm180 -87.07 132.27 33.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.498 ' CE1' HD22 ' A' ' 78' ' ' LEU . 56.1 p90 -144.22 131.84 21.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 64' ' ' ALA . 18.4 p90 -148.95 136.26 20.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.638 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -64.15 143.42 57.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.119 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.9 -49.22 11.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.638 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 7.8 p80 -63.22 -31.84 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.65 172.51 8.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -111.57 150.9 29.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -33.52 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -60.49 -35.46 75.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -96.64 13.31 28.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -72.3 120.01 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -73.62 173.74 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' HD3' ' NE2' ' A' ' 51' ' ' GLN . 1.3 ptp85 -158.8 134.69 8.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.61 127.26 72.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -101.39 120.74 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.9 m -126.39 144.71 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 t -41.42 139.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.7 t -57.33 -26.88 61.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -64.23 -17.77 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -85.03 110.16 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -65.79 -25.1 67.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.419 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 96.6 p -142.76 166.58 24.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -127.8 -177.4 4.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -136.36 133.8 37.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.498 HD22 ' CE1' ' A' ' 54' ' ' TYR . 56.4 mt -104.17 145.26 30.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -142.29 160.53 40.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 69.77 50.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 13.1 mt -110.87 158.52 18.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.6 mt -84.41 143.22 41.33 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.569 0.699 . . . . 0.0 110.956 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 144.39 54.23 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.365 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t70 44.73 50.98 8.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.9 m -132.47 119.68 20.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.32 129.9 43.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.429 ' CE1' ' HB2' ' A' ' 56' ' ' ALA . 18.1 m-85 -127.01 141.34 51.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -102.91 89.63 3.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.776 HG21 HG21 ' A' ' 37' ' ' VAL . 11.9 mt -85.36 143.7 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.47 ' CG ' ' HA ' ' A' ' 105' ' ' MET . 22.2 mp0 -152.64 138.33 17.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.758 HG21 ' CE3' ' A' ' 39' ' ' TRP . 68.9 t -106.08 139.83 26.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -145.13 124.66 2.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 1.018 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -103.67 133.88 47.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.2 p -167.86 155.0 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.492 ' ND2' HD13 ' A' ' 46' ' ' ILE . 49.8 p-10 -111.03 161.6 15.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 t -58.33 -15.12 9.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.48 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -76.59 -69.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.075 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.457 ' HA3' ' CB ' ' A' ' 17' ' ' ALA . . . -118.99 157.66 15.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 42.5 t -99.58 154.85 17.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.859 0.361 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.409 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -135.69 160.34 24.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 142.97 49.59 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.699 2.266 . . . . 0.0 112.398 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 176.85 6.19 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 96.8 p -94.77 168.29 10.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -52.36 141.7 18.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.47 ' HA ' ' CG ' ' A' ' 90' ' ' GLU . 5.8 ttp -73.36 106.1 5.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.452 HD11 ' O ' ' A' ' 25' ' ' VAL . 45.6 mt -95.77 147.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -115.95 141.11 48.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -137.09 150.49 48.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.103 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -122.36 107.75 12.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.86 HG22 HD11 ' A' ' 35' ' ' ILE . 76.5 p -64.75 163.46 14.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -79.56 163.34 24.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? -80.69 123.81 28.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.93 133.45 51.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 t -129.41 93.25 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 77.51 -177.77 52.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 145.38 56.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 55.5 p -83.93 114.79 21.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.1 t -123.6 102.9 8.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.493 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.8 p -154.41 162.38 41.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.0 t -125.75 163.74 22.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.84 102.71 2.09 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.8 p -84.9 82.92 8.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.871 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 t -129.39 155.48 45.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.2 93.3 0.71 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.6 t -120.63 110.4 28.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.83 0.348 . . . . 0.0 111.161 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.78 126.87 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.34 130.62 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.444 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -64.7 -12.94 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.095 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -61.14 117.25 5.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t -108.88 166.92 10.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.59 157.9 15.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -93.07 -48.33 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.553 ' HB3' HD13 ' A' ' 46' ' ' ILE . 35.3 m-20 -152.07 149.9 29.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.48 144.13 24.13 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 141.67 45.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -122.74 -17.56 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -102.03 146.76 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.45 149.04 39.66 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.58 0.705 . . . . 0.0 111.077 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 97.42 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -85.67 174.07 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 23' ' ' THR . 19.2 mt-10 58.61 36.81 25.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 38' ' ' HIS . 2.9 p -95.43 126.93 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -131.26 164.48 23.38 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.489 HG12 HG22 ' A' ' 37' ' ' VAL . 30.3 m -125.31 127.35 71.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.948 0.404 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -107.33 125.69 51.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.0 t -79.57 119.61 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.13 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.403 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 13.2 mt -93.22 -59.46 2.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -143.5 178.96 7.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 89.6 p -53.54 -39.12 64.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.0 t -119.16 37.08 4.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -149.64 128.35 12.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.415 HD12 HD13 ' A' ' 81' ' ' LEU . 56.9 mt -146.81 134.27 14.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.8 p -105.73 147.88 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.635 HG11 ' CG2' ' A' ' 91' ' ' VAL . 20.3 t -130.1 116.16 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 87.0 m-70 -105.79 146.62 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.841 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 36.4 p90 -151.48 173.06 15.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -106.7 128.7 54.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.555 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 28.7 m170 -57.3 127.42 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.495 HG21 HG11 ' A' ' 47' ' ' VAL . 30.9 m -70.56 172.84 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 pp -82.93 -19.44 37.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.45 ' OE1' HD11 ' A' ' 46' ' ' ILE . 22.0 mm-40 -73.74 113.9 11.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -86.73 5.13 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.71 HD12 ' ND2' ' A' ' 95' ' ' ASN . 12.2 pt -93.45 -15.66 7.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.094 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.7 m -56.53 117.35 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.67 -53.91 49.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -165.86 172.17 11.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.702 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 80.2 m-85 -103.56 120.29 40.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -92.39 114.76 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -101.64 89.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.6 ttm180 -81.39 128.55 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 44.0 p90 -133.07 141.99 48.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.513 ' CE3' ' O ' ' A' ' 88' ' ' PHE . 8.5 p90 -162.86 137.96 6.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.721 ' HB1' ' CD2' ' A' ' 58' ' ' HIS . . . -60.21 141.72 55.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.33 -42.08 30.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.721 ' CD2' ' HB1' ' A' ' 56' ' ' ALA . 8.1 p80 -71.17 -20.36 62.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.46 162.83 19.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -96.5 152.1 18.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -64.52 -21.93 66.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -68.69 -28.33 66.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -104.5 12.39 33.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 55' ' ' TRP . . . -69.4 135.76 50.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 30.9 m120 -78.86 150.93 32.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -121.28 135.73 55.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.0 t -131.37 120.07 45.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.134 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -108.95 136.65 48.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' O ' ' C ' ' A' ' 70' ' ' THR . 27.5 m -140.11 140.69 34.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 69' ' ' VAL . 80.5 p -36.16 137.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.0 t -56.72 -16.52 6.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -71.79 -25.45 62.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -74.49 116.55 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 15.0 m-85 -78.84 2.47 19.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 99.6 p -162.22 177.46 9.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -143.03 178.62 7.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 30' ' ' LEU . 7.2 tpp85 -134.7 135.45 42.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD22 ' CD1' ' A' ' 54' ' ' TYR . 21.0 mt -115.01 150.15 36.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -146.1 173.43 12.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 62.9 47.08 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD13 HD12 ' A' ' 35' ' ' ILE . 6.2 mt -110.5 149.06 30.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 95.1 mt -76.32 144.57 74.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.587 0.708 . . . . 0.0 110.94 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 144.86 55.25 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.621 2.214 . . . . 0.0 112.336 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 14.8 t0 43.3 41.85 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 90.0 m -125.83 121.1 32.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.117 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 109' ' ' PHE . 54.7 tt0 -57.52 133.01 54.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 56' ' ' ALA . 10.6 m-85 -130.98 116.63 18.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.886 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' O ' ' CE3' ' A' ' 55' ' ' TRP . 43.4 m-85 -80.09 117.43 20.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.1 mt -110.36 142.34 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.486 ' HG3' ' CE ' ' A' ' 105' ' ' MET . 10.2 mt-10 -134.48 119.28 18.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.635 ' CG2' HG11 ' A' ' 37' ' ' VAL . 95.1 t -113.01 110.96 34.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.112 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.36 131.09 4.21 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.473 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.702 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -76.11 156.5 33.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 111.073 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 22.9 p -173.47 141.83 0.92 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.71 ' ND2' HD12 ' A' ' 46' ' ' ILE . 35.7 p-10 -110.39 171.35 7.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 6.7 t -64.72 -37.06 86.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 16' ' ' ASP . . . -55.71 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.093 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.76 163.13 13.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.465 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 72.5 m -98.09 130.63 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -97.66 156.5 20.64 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.16 39.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.357 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 154.23 68.06 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.369 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -77.01 -178.03 4.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -58.63 143.52 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.486 ' CE ' ' HG3' ' A' ' 90' ' ' GLU . 7.2 tpt -74.76 98.38 3.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 20.6 mt -93.84 138.84 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.32 142.49 44.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -122.6 154.16 38.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 86' ' ' GLN . 6.8 m-85 -130.8 110.78 11.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -68.8 177.03 2.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp -99.77 169.1 9.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -72.84 133.18 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.16 105.33 6.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 67.1 m -111.06 -68.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.36 -158.05 27.74 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.522 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.64 0.53 Allowed 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.737 2.291 . . . . 0.0 112.368 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 21.0 t -147.74 179.36 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.836 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 95.4 p -138.51 145.5 40.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 p -55.88 -63.35 1.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -50.18 138.21 16.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.75 -172.22 5.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.464 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -151.7 -177.99 6.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.848 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -104.2 16.73 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.06 57.74 1.66 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 p -99.99 141.31 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 111.156 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.34 153.26 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.28 135.92 27.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.549 ' C ' HD12 ' A' ' 11' ' ' ILE . 2.6 pp -38.42 151.92 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -97.5 114.08 25.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 m -64.29 108.79 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -161.95 137.77 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HG3' ' N ' ' A' ' 16' ' ' ASP . 14.0 pt20 -59.18 -46.55 88.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 15' ' ' GLN . 2.8 m-20 -162.32 168.65 21.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.77 144.09 40.33 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 124.86 11.51 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.5 t -114.23 -0.41 13.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.425 ' CG ' ' HB ' ' A' ' 42' ' ' VAL . 1.4 pm0 -117.69 173.51 6.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.31 149.01 66.57 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.618 0.723 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 105.6 1.52 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.67 2.247 . . . . 0.0 112.354 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.717 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.8 OUTLIER -84.98 178.56 7.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.717 ' H ' HG22 ' A' ' 23' ' ' THR . 13.2 mt-10 47.52 48.44 16.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.555 HG13 HD11 ' A' ' 106' ' ' ILE . 7.5 p -96.56 136.43 27.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -145.99 164.45 28.24 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 HG21 ' HB2' ' A' ' 108' ' ' ALA . 18.2 m -126.84 124.01 63.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -101.64 125.47 48.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.838 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -81.11 117.83 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.9 mt -92.91 -49.95 5.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.4 m -153.45 176.09 12.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 99.1 p -53.14 -31.08 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.7 p -125.68 33.25 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.424 ' C ' HG13 ' A' ' 35' ' ' ILE . 28.4 mt-10 -147.51 133.55 19.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.756 HD11 HG22 ' A' ' 110' ' ' THR . 21.7 mt -156.86 129.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.567 ' HG ' ' CE1' ' A' ' 38' ' ' HIS . 8.7 t -99.47 138.83 36.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.622 HG11 ' CG2' ' A' ' 91' ' ' VAL . 40.1 t -112.62 99.23 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.164 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.567 ' CE1' ' HG ' ' A' ' 36' ' ' SER . 32.5 m-70 -94.01 143.64 26.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -150.97 170.66 18.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -102.08 137.34 40.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.532 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 8.3 m170 -57.85 139.49 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 44' ' ' GLU . 19.1 m -81.18 146.03 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.609 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.0 pp -53.02 -22.22 5.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.609 ' HG2' HD12 ' A' ' 43' ' ' LEU . 4.8 mm-40 -92.27 126.37 37.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -99.6 9.6 42.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 47' ' ' VAL . 8.2 pt -78.46 -25.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG11 ' HB1' ' A' ' 93' ' ' ALA . 22.6 m -51.3 160.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.66 -54.57 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.7 p -148.96 162.4 39.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.893 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.649 ' O ' HD12 ' A' ' 52' ' ' ILE . 79.4 m-85 -99.84 106.31 18.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -78.87 121.89 25.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.649 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.4 mp -111.9 97.78 6.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.6 ttp180 -88.05 117.86 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' HE1' HG23 ' A' ' 67' ' ' VAL . 11.0 p90 -126.92 147.98 50.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 14.5 p90 -167.58 150.85 6.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.944 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -63.94 144.47 57.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.407 ' HB2' HE21 ' A' ' 86' ' ' GLN . . . -49.43 -29.85 7.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.492 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 11.2 p-80 -80.55 -40.01 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.492 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 53.4 m-20 -62.65 154.32 29.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.45 171.89 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -78.7 -10.98 59.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -83.29 -33.02 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.39 -1.53 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.01 134.23 53.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -81.23 -175.87 5.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -161.51 129.58 4.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 HG23 ' HE1' ' A' ' 54' ' ' TYR . 21.5 t -124.94 98.61 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -93.07 134.96 34.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -125.1 167.26 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.5 p -62.11 154.27 27.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.114 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.2 p -60.11 -26.48 66.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -59.21 -23.61 62.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.85 116.83 28.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CE2' ' CD2' ' A' ' 41' ' ' HIS . 17.1 m-85 -79.79 -18.09 51.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 p -141.17 163.87 31.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -124.01 172.86 8.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.4 tpp85 -127.63 139.28 52.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.69 137.91 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -139.49 161.81 36.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 70.93 42.94 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.488 HD13 ' CD1' ' A' ' 35' ' ' ILE . 5.0 mt -103.78 151.48 23.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 68.4 mt -74.48 144.07 80.31 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.628 0.728 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 84' ' ' ASP . 54.1 Cg_endo -69.74 151.12 69.13 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.317 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 83' ' ' PRO . 15.1 t0 36.85 49.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 80.5 m -136.36 131.18 33.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 57' ' ' ALA . 18.3 tt0 -70.12 143.74 52.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -136.36 114.91 11.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 41.7 m-85 -76.12 100.31 4.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.511 ' CD1' HG11 ' A' ' 27' ' ' VAL . 23.7 mt -93.81 139.32 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -137.79 119.28 14.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.622 ' CG2' HG11 ' A' ' 37' ' ' VAL . 49.5 t -109.71 117.71 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.131 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.24 122.04 2.58 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -72.03 137.59 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.736 0.303 . . . . 0.0 111.1 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 p -167.14 139.25 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.7 ' OD1' ' HB3' ' A' ' 97' ' ' ALA . 24.5 p30 -102.45 174.46 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 t -67.63 -19.37 65.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.7 ' HB3' ' OD1' ' A' ' 95' ' ' ASN . . . -71.51 -74.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.64 160.98 14.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.4 148.08 23.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.883 0.373 . . . . 0.0 110.905 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -118.8 163.73 13.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 139.69 40.6 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.267 . . . . 0.0 112.353 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 153.24 69.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.691 2.261 . . . . 0.0 112.38 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.3 p -75.41 176.32 7.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.05 156.31 3.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 44.7 ttm -79.7 96.2 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 HG13 ' A' ' 25' ' ' VAL . 13.2 mt -95.23 142.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -121.6 131.94 54.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.35 150.68 30.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -121.52 114.93 21.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.756 HG22 HD11 ' A' ' 35' ' ' ILE . 61.0 p -74.51 162.91 28.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -87.61 172.12 9.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.3 mtmt -74.8 130.76 40.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.56 122.72 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 t -48.41 159.07 0.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 105.12 136.44 8.67 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 95.6 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.716 2.277 . . . . 0.0 112.339 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 96.6 p -84.29 147.46 27.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.8 t -129.58 117.79 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t 61.01 43.25 11.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 0.0 110.837 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 m -61.26 176.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.01 126.82 41.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -131.66 146.88 52.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -135.01 140.85 45.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.31 115.68 4.19 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.53 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.0 t -76.77 128.33 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.152 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -160.2 111.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' O ' ' A' ' 10' ' ' VAL . 13.8 p -137.88 121.65 21.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 11' ' ' ILE . 11.7 mt 40.76 34.07 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -62.4 160.94 12.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -120.78 105.12 10.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.64 172.45 12.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.643 ' NE2' ' HB2' ' A' ' 97' ' ' ALA . 8.6 pm0 -131.42 -38.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.584 ' HB3' HD13 ' A' ' 46' ' ' ILE . 2.7 t70 -168.26 -175.66 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.25 145.8 16.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 147.07 62.38 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 t -121.92 -15.56 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.841 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.7 146.88 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 147.49 64.2 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.562 0.696 . . . . 0.0 111.117 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 99.56 0.75 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.633 2.222 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.708 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -80.17 179.41 7.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.708 ' H ' HG22 ' A' ' 23' ' ' THR . 6.2 mm-40 43.62 35.78 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.519 HG13 HD11 ' A' ' 106' ' ' ILE . 11.3 p -83.25 127.04 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -138.08 173.13 22.59 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.606 HG11 ' HB ' ' A' ' 89' ' ' ILE . 33.5 m -121.89 150.98 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.849 0.357 . . . . 0.0 111.128 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -117.74 135.92 53.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 41.2 t -90.78 108.14 19.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.2 mt -81.8 -64.36 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.2 p -146.66 -174.99 4.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 59.0 p -59.24 -29.62 67.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.412 ' C ' ' HG3' ' A' ' 34' ' ' GLU . 16.4 m -126.47 28.05 6.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.412 ' HG3' ' C ' ' A' ' 33' ' ' SER . 30.2 mt-10 -143.84 136.82 27.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.536 HD11 ' CG2' ' A' ' 110' ' ' THR . 75.5 mt -152.73 140.82 13.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.6 m -108.95 154.37 22.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.499 HG11 ' CG2' ' A' ' 91' ' ' VAL . 19.2 t -133.19 106.63 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -102.08 159.18 15.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.492 ' HB3' HG23 ' A' ' 25' ' ' VAL . 40.5 p90 -166.69 169.72 13.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -95.72 128.92 43.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 m170 -59.52 137.43 58.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.4 m -91.97 149.82 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.56 -24.43 67.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.49 125.7 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -99.48 -9.99 22.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.584 HD13 ' HB3' ' A' ' 16' ' ' ASP . 6.1 pt -93.43 25.22 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 47' ' ' VAL . 12.2 m -91.75 112.48 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -45.93 -61.45 1.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.9 t -174.69 157.12 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -77.33 101.16 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -83.89 126.15 32.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG13 HG22 ' A' ' 91' ' ' VAL . 5.3 mp -106.7 99.6 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -86.55 112.68 21.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -124.54 145.03 49.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 25.0 p90 -166.62 151.42 7.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 153.36 41.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.23 -49.43 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.9 p-80 -65.23 -38.32 90.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.512 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 26.9 m-20 -54.56 167.95 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -114.37 154.53 27.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -50.94 -42.84 59.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.96 -33.08 62.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.24 17.83 20.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.68 122.03 28.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -76.59 154.3 34.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -130.17 129.0 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -106.73 131.32 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -111.22 129.91 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 m -135.58 144.13 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.0 p -40.05 138.05 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.5 p -51.82 -26.95 10.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -65.32 -40.49 93.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.51 92.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -53.17 -25.91 15.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 87.2 p -144.33 160.05 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -123.23 175.13 6.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -132.32 156.01 47.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.9 mt -129.81 140.11 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -130.9 173.18 11.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 57.06 53.57 7.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD13 HD12 ' A' ' 35' ' ' ILE . 15.3 mt -112.13 148.77 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.49 143.52 90.39 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.623 0.725 . . . . 0.0 110.903 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.717 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.79 145.5 57.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.6 t0 38.98 53.49 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 86.3 m -131.97 129.12 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.77 128.58 36.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -133.8 104.7 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -69.4 120.76 15.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.606 ' HB ' HG11 ' A' ' 27' ' ' VAL . 22.6 mt -115.56 148.7 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -151.36 147.08 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 ' CG2' HG11 ' A' ' 37' ' ' VAL . 36.9 t -139.15 105.64 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.21 121.06 3.4 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.524 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.0 118.32 8.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 97.6 m -150.96 145.98 25.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 51.2 p30 -109.58 168.93 9.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 33.5 t -68.65 -35.78 77.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB2' ' NE2' ' A' ' 15' ' ' GLN . . . -51.01 -70.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -118.9 161.81 13.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.476 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.38 102.7 13.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -86.08 169.93 42.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.484 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.43 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.754 2.303 . . . . 0.0 112.357 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 167.89 23.15 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.665 2.243 . . . . 0.0 112.347 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 76.1 p -82.94 -175.61 5.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.411 ' O ' HD12 ' A' ' 106' ' ' ILE . 4.3 t70 -72.32 146.21 47.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 42.1 ttm -87.05 120.85 28.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.519 HD11 HG13 ' A' ' 25' ' ' VAL . 4.6 mp -112.49 141.45 28.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -103.72 132.09 50.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.481 ' HB2' HG21 ' A' ' 27' ' ' VAL . . . -112.45 153.89 26.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -133.55 106.66 7.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.536 ' CG2' HD11 ' A' ' 35' ' ' ILE . 60.7 p -69.65 165.02 22.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.168 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.78 169.78 14.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 126.6 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.717 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -64.69 87.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.3 m -68.76 -42.7 77.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -167.91 150.62 16.95 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 130.46 19.29 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 6.1 m -85.63 142.32 29.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.9 m -60.9 -48.54 81.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.3 p -126.48 133.85 51.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.837 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.8 p -69.2 147.42 51.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.02 174.06 33.4 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -102.66 102.31 12.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.859 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -158.36 160.93 37.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.63 97.48 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.514 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.0 m -65.04 162.63 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.132 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.66 105.95 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 11' ' ' ILE . 35.8 m -66.42 168.42 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.502 HG22 ' H ' ' A' ' 13' ' ' SER . 50.0 mm -34.33 122.6 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -100.24 40.89 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 11' ' ' ILE . 70.8 m 52.05 42.65 30.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -111.92 164.5 13.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -76.16 -45.8 31.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -156.87 -179.97 8.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.0 145.81 16.9 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.567 0.698 . . . . 0.0 111.082 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 134.24 27.38 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.699 2.266 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.7 p -116.38 -31.65 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -97.61 148.26 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.09 149.14 59.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.569 0.699 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 114.18 3.61 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.663 2.242 . . . . 0.0 112.356 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.588 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.2 m -107.37 171.81 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.588 ' H ' HG22 ' A' ' 23' ' ' THR . 25.0 mt-10 55.49 41.03 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG22 ' CB ' ' A' ' 39' ' ' TRP . 9.5 t -76.82 154.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.464 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -138.82 162.32 25.88 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.3 m -138.23 129.72 37.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 111.145 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -103.06 131.03 50.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.8 t -82.7 87.78 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.7 mt -63.44 -59.28 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 m -151.27 -179.98 7.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.0 p -61.62 -27.47 68.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.7 p -122.48 28.63 7.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' C ' HG13 ' A' ' 35' ' ' ILE . 21.4 mt-10 -153.73 139.52 18.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HG22 ' A' ' 110' ' ' THR . 84.1 mt -153.67 140.43 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.156 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.8 p -101.03 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG2' HG21 ' A' ' 89' ' ' ILE . 28.0 t -126.63 99.01 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -99.46 132.16 44.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.769 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.8 p90 -134.83 160.42 38.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -81.42 156.65 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.539 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 6.2 m170 -85.1 133.68 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 m -81.33 150.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' HG2' ' A' ' 44' ' ' GLU . 3.4 pp -60.36 -11.05 5.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' HG2' HD12 ' A' ' 43' ' ' LEU . 72.5 mm-40 -96.25 104.97 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -85.18 4.78 32.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.22 -22.72 15.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.4 m -50.22 144.72 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -41.61 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -162.61 177.65 9.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.668 ' O ' HD12 ' A' ' 52' ' ' ILE . 94.4 m-85 -112.98 108.7 17.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.56 117.74 20.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 50' ' ' TYR . 4.2 mp -106.61 118.6 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -104.26 112.09 24.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -121.29 135.84 55.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 11.8 p90 -166.56 156.55 11.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 58' ' ' HIS . . . -74.27 154.8 38.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.09 -39.27 63.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.481 ' CE1' ' CB ' ' A' ' 56' ' ' ALA . 39.6 p-80 -70.69 -46.01 63.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 40.4 m-20 -55.01 157.73 3.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -100.51 165.95 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -57.87 -30.28 65.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 13.9 pt-20 -67.87 -46.64 71.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -78.34 4.64 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.102 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.99 124.9 29.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -73.01 168.98 17.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -143.75 128.78 18.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.6 t -113.34 124.14 69.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -110.37 105.04 13.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.4 m -103.9 169.36 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.8 p -63.76 164.52 9.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.108 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.9 p -78.45 -12.54 60.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.49 -19.09 43.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -84.13 111.46 19.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 14.4 m-85 -70.87 -5.2 28.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.454 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 67.7 p -158.84 172.9 17.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -131.61 179.78 5.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 21.8 ttp85 -134.27 131.18 38.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.5 mt -103.76 150.18 24.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -141.68 168.21 20.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 62.19 51.84 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 35' ' ' ILE . 6.9 mt -108.15 149.44 28.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.8 mt -78.42 142.9 63.22 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.457 ' CB ' ' H ' ' A' ' 113' ' ' ALA . 54.0 Cg_endo -69.79 139.13 39.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.351 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 23.1 t70 50.49 47.45 24.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 94.0 m -127.55 137.99 52.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -77.74 116.7 18.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -114.22 125.11 53.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -88.63 107.22 18.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.411 HG21 ' CG2' ' A' ' 37' ' ' VAL . 19.0 mt -100.01 136.98 28.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -143.57 117.11 9.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.769 HG11 ' CD2' ' A' ' 39' ' ' TRP . 57.1 t -95.89 130.59 44.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.115 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -144.29 121.4 1.6 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -82.2 143.57 31.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 p -170.57 144.35 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.0 p-10 -110.95 152.76 26.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.6 t -47.27 -22.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.427 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -74.04 -75.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.078 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -117.87 153.53 17.11 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.537 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 91.7 m -92.12 158.51 16.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -132.72 159.78 23.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.66 35.87 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.695 2.264 . . . . 0.0 112.354 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.92 58.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.656 2.238 . . . . 0.0 112.346 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.4 p -73.67 -174.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.86 156.09 34.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 51.0 ttm -82.91 107.98 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.54 148.48 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.132 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -117.29 137.0 52.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -124.41 153.27 42.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -128.79 109.97 11.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.701 HG22 HD11 ' A' ' 35' ' ' ILE . 81.2 p -75.94 152.42 37.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.118 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 56.2 mmtt -71.12 173.59 7.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.444 ' N ' ' HD2' ' A' ' 112' ' ' LYS . 0.1 OUTLIER -80.35 91.55 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.457 ' H ' ' CB ' ' A' ' 83' ' ' PRO . . . 34.02 36.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 112' ' ' LYS . 1.5 t -128.44 153.48 47.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.02 159.54 27.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -3.83 12.79 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.346 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.3 m -39.28 -46.1 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -137.99 129.74 28.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.46 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -57.22 177.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.856 0.36 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -71.63 -55.56 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.838 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.06 -133.49 23.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.4 p -105.65 121.03 43.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 8' ' ' VAL . 5.9 m -134.31 142.83 47.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.81 -75.41 0.17 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 6' ' ' SER . 4.7 t 65.61 45.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.844 0.354 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -105.28 156.34 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 10' ' ' VAL . 34.0 m -68.74 121.38 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 71.4 mt -107.02 -46.32 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 -45.87 123.76 4.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -47.88 133.91 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.6 136.07 10.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.104 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' H ' ' CD ' ' A' ' 15' ' ' GLN . 8.4 pm0 -86.33 -29.2 23.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -169.69 174.72 5.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.55 142.88 15.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 120.59 7.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.635 2.223 . . . . 0.0 112.325 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p -97.95 -23.55 15.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -97.55 144.43 27.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.08 148.77 58.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 103.02 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.73 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -97.47 -179.22 4.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.73 ' H ' HG22 ' A' ' 23' ' ' THR . 43.5 mt-10 46.64 41.07 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.874 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.9 t -80.01 160.44 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.546 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -141.12 173.86 23.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.03 140.89 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 111.075 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.693 ' O ' HG23 ' A' ' 35' ' ' ILE . 15.2 tptp -109.43 138.11 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.2 t -96.55 84.5 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.4 mt -66.9 -47.61 71.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t -153.75 -179.0 7.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 m -61.15 -29.91 70.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -126.83 32.82 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -150.27 112.21 4.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 28' ' ' LYS . 36.2 mt -134.65 127.92 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.525 ' OG ' ' CE1' ' A' ' 38' ' ' HIS . 17.4 t -90.1 137.17 32.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG11 ' CG2' ' A' ' 91' ' ' VAL . 31.2 t -115.3 104.07 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' CE1' ' OG ' ' A' ' 36' ' ' SER . 3.6 m-70 -107.78 119.86 40.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.635 ' CD2' HG11 ' A' ' 91' ' ' VAL . 45.3 p90 -117.66 176.21 5.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -97.91 132.96 43.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.672 ' CE1' ' CZ ' ' A' ' 74' ' ' TYR . 11.1 m170 -61.7 130.64 46.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.4 m -79.97 170.18 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 pp -84.84 4.24 34.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 47' ' ' VAL . 49.2 mm-40 -99.71 95.98 7.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -76.65 4.69 8.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.543 HD12 ' HB2' ' A' ' 95' ' ' ASN . 2.4 pp -86.65 -18.06 8.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG13 ' O ' ' A' ' 44' ' ' GLU . 20.1 m -51.68 139.18 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 49' ' ' SER . 3.1 pt-20 -89.79 -30.85 17.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.463 ' N ' ' HG3' ' A' ' 48' ' ' GLU . 3.0 m -174.33 178.12 2.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 81.8 m-85 -116.36 133.28 56.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -103.46 122.16 44.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.576 HG13 HG22 ' A' ' 91' ' ' VAL . 4.3 mp -104.34 93.71 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -83.43 115.34 22.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -128.46 148.16 50.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.8 p90 -172.16 146.97 1.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 164.67 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.68 -47.68 80.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.087 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.422 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 2.6 p-80 -63.56 -39.79 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 2.4 m-20 -54.42 170.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -119.46 167.15 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -61.86 -30.22 70.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 63' ' ' ALA . 11.8 pt-20 -67.28 -32.99 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 62' ' ' GLU . . . -102.41 15.92 27.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.28 131.79 35.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -79.73 -179.6 7.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ptt-85 -160.06 136.48 8.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.87 126.15 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -105.94 118.42 36.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG21 ' HB2' ' A' ' 76' ' ' ALA . 29.9 m -125.9 152.66 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 15.2 t -48.2 147.35 2.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.5 t -64.26 -23.91 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -69.84 -13.37 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.63 96.23 10.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.672 ' CZ ' ' CE1' ' A' ' 41' ' ' HIS . 12.3 m-85 -53.77 -22.27 9.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.412 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 87.6 p -145.24 166.53 25.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.411 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -131.33 175.96 8.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 18.1 ttp-105 -125.87 132.08 52.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.47 HD21 HG21 ' A' ' 52' ' ' ILE . 72.6 mt -101.53 143.55 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -140.11 162.82 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 71.28 51.03 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt -114.26 157.05 23.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.935 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.2 mt -84.44 142.03 39.93 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.592 0.711 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.465 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.5 Cg_endo -69.77 139.74 40.91 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.642 2.228 . . . . 0.0 112.377 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' LYS . 32.7 t70 51.97 44.26 29.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.3 m -125.45 136.18 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -76.27 125.01 28.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.953 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -125.78 126.26 44.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.957 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -89.41 91.92 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.849 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 23.0 mt -80.58 144.68 10.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.433 ' CD ' ' HB2' ' A' ' 102' ' ' PRO . 30.9 tt0 -150.0 125.29 10.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.635 HG11 ' CD2' ' A' ' 39' ' ' TRP . 69.7 t -104.04 118.13 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.29 120.57 2.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.426 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -71.02 152.94 43.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 0.0 111.051 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 9.6 t -152.54 134.1 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.543 ' HB2' HD12 ' A' ' 46' ' ' ILE . 7.8 t30 -100.85 138.61 37.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 95' ' ' ASN . 3.6 t -42.83 -24.23 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.437 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -92.34 -71.34 0.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.078 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -112.99 164.08 12.08 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 24.6 p -112.07 155.54 23.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -115.63 171.15 13.58 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.22 59.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.433 ' HB2' ' CD ' ' A' ' 90' ' ' GLU . 54.6 Cg_endo -69.68 151.92 69.59 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.69 2.26 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 91.0 p -72.88 177.08 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.91 144.26 45.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.1 ttm -66.61 116.33 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.471 ' CD1' HG12 ' A' ' 25' ' ' VAL . 19.9 mt -109.92 151.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.63 134.53 48.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -123.31 153.74 39.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -128.36 109.53 11.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.427 ' CG2' HD11 ' A' ' 35' ' ' ILE . 45.4 p -72.86 -178.47 2.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' ASP . 6.4 mmpt? -107.44 -178.32 3.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -82.28 131.93 35.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . -57.97 121.97 11.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.8 t -123.89 126.82 47.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 156.54 158.14 8.7 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.51 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -38.11 8.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.313 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -65.43 -61.5 2.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.4 p -98.34 141.28 31.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.497 -179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.3 m -72.47 119.5 16.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -163.6 149.56 11.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.38 131.65 10.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 p -86.35 -47.61 9.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -63.09 91.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.89 -52.75 7.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.448 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -70.96 130.74 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.126 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -168.24 173.74 7.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.131 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' VAL . 15.0 p -89.14 122.35 40.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 23.6 pt -77.72 166.6 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -55.49 141.58 36.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.0 m -74.01 150.54 40.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -161.68 151.93 17.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -100.62 -20.71 15.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -173.65 -175.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.06 138.31 12.8 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.554 0.692 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.458 ' HG2' ' CA ' ' A' ' 100' ' ' GLY . 53.9 Cg_endo -69.79 112.59 3.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.3 t -97.11 -35.13 10.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.464 ' OE1' HD21 ' A' ' 43' ' ' LEU . 7.3 tp10 -92.76 146.9 23.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.18 148.53 70.14 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.616 0.722 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 98.0 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.72 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -95.75 -179.46 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.72 ' H ' HG22 ' A' ' 23' ' ' THR . 42.9 mt-10 46.96 39.51 7.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 26' ' ' GLY . 13.7 t -76.65 159.51 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.533 ' N ' ' CG1' ' A' ' 25' ' ' VAL . . . -132.98 168.06 23.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.4 m -140.61 126.11 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.174 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' O ' HG23 ' A' ' 35' ' ' ILE . 21.1 tptt -103.51 144.2 31.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' LYS . 98.8 t -108.3 95.45 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.8 mt -73.32 -48.04 37.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 m -150.21 -176.7 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 p -62.24 -34.07 75.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -118.1 26.59 9.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.82 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -141.79 119.88 12.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.766 HD12 HD13 ' A' ' 81' ' ' LEU . 58.4 mt -139.79 124.59 20.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.12 149.36 21.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG11 ' CG2' ' A' ' 91' ' ' VAL . 21.4 t -131.44 107.9 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -105.67 116.56 32.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.562 ' CD2' HG11 ' A' ' 91' ' ' VAL . 47.1 p90 -114.69 178.13 4.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.972 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -102.86 138.16 40.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.686 ' CG ' ' CE1' ' A' ' 74' ' ' TYR . 9.4 m170 -69.02 127.45 33.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.863 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 44' ' ' GLU . 22.9 m -74.57 137.69 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.504 HD12 ' N ' ' A' ' 44' ' ' GLU . 1.1 pp -41.57 -33.08 0.41 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.683 ' O ' HG23 ' A' ' 42' ' ' VAL . 15.4 mt-10 -85.51 126.02 33.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -103.26 8.17 38.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CD1' ' ND2' ' A' ' 95' ' ' ASN . 2.8 pp -76.79 -4.92 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.106 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 m -64.52 141.43 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -73.05 -54.05 9.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.9 p -168.32 156.41 8.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.809 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.3 m-85 -92.37 130.71 37.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -112.28 128.11 56.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.936 HG13 HG22 ' A' ' 91' ' ' VAL . 4.8 mp -103.82 89.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 8.9 ttp-105 -75.67 118.71 18.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -129.95 145.14 51.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.498 ' CZ3' ' O ' ' A' ' 88' ' ' PHE . 13.4 p90 -164.45 148.34 9.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.934 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.401 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.71 150.51 36.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.2 -41.43 36.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 59' ' ' ASP . 5.2 p-80 -73.6 -36.96 65.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' N ' ' CD2' ' A' ' 58' ' ' HIS . 6.8 m-20 -54.49 162.72 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -106.74 165.0 11.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -61.72 -33.22 73.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.95 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -66.67 -44.99 80.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.45 9.03 16.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.01 124.17 28.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -79.49 177.42 8.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -162.52 133.39 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.41 125.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.142 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.406 ' OE1' ' C ' ' A' ' 50' ' ' TYR . 1.6 tp-100 -109.52 117.71 34.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 m -117.3 -179.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.2 p -68.31 141.72 55.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.1 m -56.48 -26.82 55.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.81 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -68.01 -26.36 65.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -74.12 100.55 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.686 ' CE1' ' CG ' ' A' ' 41' ' ' HIS . 15.0 m-85 -63.95 -17.15 62.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.8 p -143.01 164.38 30.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.846 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -137.77 158.45 44.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -115.17 136.31 53.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 mt -109.01 136.05 49.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 53.6 mt-10 -131.11 160.38 34.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 79' ' ' GLU . 2.1 m-80 74.96 48.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.766 HD13 HD12 ' A' ' 35' ' ' ILE . 27.3 mt -110.85 160.16 17.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 63.7 mt -86.14 143.38 37.03 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.604 0.716 . . . . 0.0 110.939 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.421 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 53.6 Cg_endo -69.79 145.99 58.66 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.672 2.248 . . . . 0.0 112.349 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.9 t70 40.53 52.42 3.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.6 m -133.62 129.94 37.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -68.65 129.65 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -129.17 126.1 38.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CZ3' ' A' ' 55' ' ' TRP . 47.1 m-85 -86.18 100.11 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.452 HG23 ' CG2' ' A' ' 52' ' ' ILE . 49.9 mt -98.41 139.39 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -145.37 124.6 12.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.936 HG22 HG13 ' A' ' 52' ' ' ILE . 94.2 t -106.84 120.64 58.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -142.01 134.15 6.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.809 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -86.46 135.6 33.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 6.5 t -158.32 136.64 10.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.484 ' ND2' ' CD1' ' A' ' 46' ' ' ILE . 21.5 p30 -109.2 159.9 16.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 91.4 p -60.74 -13.23 13.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -79.51 -72.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.84 146.39 17.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 18.4 t -78.67 146.55 33.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.458 ' CA ' ' HG2' ' A' ' 18' ' ' PRO . . . -127.89 149.9 18.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.516 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 135.09 29.7 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.677 2.252 . . . . 0.0 112.386 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 165.55 30.67 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.338 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.3 p -77.11 -178.88 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.46 134.08 55.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 43.6 ttm -57.9 113.57 1.93 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 25' ' ' VAL . 34.9 mt -108.39 140.52 26.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -117.75 134.9 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -121.34 154.78 35.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -129.92 107.43 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.597 ' CG2' HD11 ' A' ' 35' ' ' ILE . 50.5 p -66.4 -177.29 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -108.72 167.06 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.7 mmtm -68.62 136.03 52.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 83' ' ' PRO . . . -73.37 136.27 44.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.105 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.2 m 41.91 51.25 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -84.44 146.94 22.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -3.92 12.96 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.9 t -37.94 104.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.0 t -96.87 138.21 34.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.4 m -62.18 104.87 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.92 0.391 . . . . 0.0 110.852 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -143.48 141.3 30.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.875 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.16 -43.55 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -47.47 126.18 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.898 0.38 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.1 t -66.17 -47.04 75.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.81 -154.71 7.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.404 HG23 ' N ' ' A' ' 9' ' ' ALA . 33.4 m -109.9 -39.85 4.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.825 0.345 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' HG23 ' A' ' 8' ' ' VAL . . . -63.71 149.93 45.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.3 m -117.15 154.9 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 72.8 mt -45.76 110.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.169 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -118.1 86.32 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.5 m -150.46 133.82 16.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 97' ' ' ALA . . . -149.81 161.49 42.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.085 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -67.15 -43.66 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -174.4 169.77 3.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -152.85 143.13 15.36 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.04 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.42 23.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -116.45 -16.59 10.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -99.82 136.94 38.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.84 148.46 35.59 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 111.072 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.82 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.719 HG22 ' H ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -77.36 -179.35 5.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.719 ' H ' HG22 ' A' ' 23' ' ' THR . 2.4 pt-20 35.83 51.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.591 HG13 HD11 ' A' ' 106' ' ' ILE . 2.1 p -97.89 117.45 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.2 175.19 19.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.618 HG12 HG13 ' A' ' 37' ' ' VAL . 27.6 m -131.84 129.53 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 111.109 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -102.23 130.36 48.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.2 t -81.67 126.88 39.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.886 HD11 ' OG ' ' A' ' 36' ' ' SER . 18.6 mt -98.36 -57.3 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 t -148.35 174.29 12.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.6 p -53.89 -31.05 48.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.8 p -121.53 28.63 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -146.4 140.4 26.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.597 HD12 HD13 ' A' ' 81' ' ' LEU . 62.9 mt -155.2 135.6 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.886 ' OG ' HD11 ' A' ' 30' ' ' LEU . 73.5 m -110.89 138.26 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.638 HG11 ' CG2' ' A' ' 91' ' ' VAL . 45.8 t -115.58 108.87 26.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -102.37 136.44 42.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.432 ' CZ3' ' HA ' ' A' ' 75' ' ' SER . 45.2 p90 -146.34 167.7 22.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -88.51 144.39 26.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.455 ' CE1' ' CE1' ' A' ' 74' ' ' TYR . 6.9 m170 -80.88 129.38 34.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.71 142.48 14.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.98 -17.52 1.49 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -88.0 116.87 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.4 mtmt -94.61 7.45 45.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.7 pt -79.24 -16.83 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -56.36 135.02 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -71.07 -53.15 15.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.0 m -165.31 173.24 11.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.49 ' CE2' ' HB2' ' A' ' 93' ' ' ALA . 55.8 m-85 -105.71 103.05 12.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tm0? -79.12 132.47 36.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 50' ' ' TYR . 5.2 mp -116.66 114.32 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HG2' ' CE3' ' A' ' 55' ' ' TRP . 53.8 ttp180 -102.73 109.59 21.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 65' ' ' ASN . 15.2 p90 -118.36 136.6 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.525 ' CE3' ' HG2' ' A' ' 53' ' ' ARG . 33.0 p90 -157.81 146.77 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.867 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.464 ' HB3' ' CE1' ' A' ' 58' ' ' HIS . . . -68.1 146.35 53.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.24 -44.85 8.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.464 ' CE1' ' HB3' ' A' ' 56' ' ' ALA . 35.1 p-80 -66.37 -47.58 72.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.464 ' N ' ' CG ' ' A' ' 58' ' ' HIS . 6.0 m-20 -51.57 172.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.1 mttt -116.67 159.17 22.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -57.18 -25.28 58.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.11 -41.55 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.3 17.22 8.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.6 129.96 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 54' ' ' TYR . 7.2 m-80 -67.07 145.83 54.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 24.0 mtm105 -117.83 124.61 48.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.418 HG23 ' HE1' ' A' ' 54' ' ' TYR . 68.0 t -134.26 106.38 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -99.33 141.91 31.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.4 m -125.26 179.8 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -76.28 160.25 29.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 85.9 p -78.47 -7.28 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -91.28 -1.6 57.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -103.62 105.55 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.455 ' CE1' ' CE1' ' A' ' 41' ' ' HIS . 10.1 m-85 -63.09 -9.58 11.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.432 ' HA ' ' CZ3' ' A' ' 39' ' ' TRP . 5.7 p -153.67 156.86 38.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.873 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -114.98 -178.4 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 9.8 ttp-105 -137.41 144.16 42.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 70.9 mt -125.84 143.75 50.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -141.81 168.69 19.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.27 46.53 1.45 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.597 HD13 HD12 ' A' ' 35' ' ' ILE . 14.0 mt -108.26 159.36 16.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.4 mt -83.93 143.75 43.63 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.586 0.707 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.865 ' CB ' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.72 154.55 67.76 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.682 2.254 . . . . 0.0 112.34 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' CG ' ' A' ' 84' ' ' ASP . 1.4 p-10 37.6 47.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.7 m -129.32 140.79 51.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.18 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -81.75 142.41 32.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -141.21 122.85 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -85.69 102.68 13.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.454 HG21 HG21 ' A' ' 37' ' ' VAL . 51.6 mt -92.96 134.55 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -131.58 122.34 25.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.638 ' CG2' HG11 ' A' ' 37' ' ' VAL . 54.4 t -116.49 113.94 44.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -137.55 123.14 2.67 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . . . -72.73 139.17 47.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.808 0.337 . . . . 0.0 111.077 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.6 t -167.71 136.8 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -103.01 173.73 6.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 8.0 t -70.31 -24.28 62.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.673 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -65.74 -74.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -119.03 151.36 17.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 90.3 m -83.5 122.76 28.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.869 0.366 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -98.27 155.84 20.31 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 124.94 11.6 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 159.21 54.26 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.722 2.282 . . . . 0.0 112.369 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 66.3 p -70.52 -178.32 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -71.17 162.99 28.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 26.0 ttm -75.12 117.17 16.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.591 HD11 HG13 ' A' ' 25' ' ' VAL . 11.0 mt -110.61 142.4 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -115.01 144.93 42.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -126.79 153.8 45.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -131.33 106.74 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.574 HG22 HD11 ' A' ' 35' ' ' ILE . 54.2 p -67.66 161.98 24.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 35.5 mmtt -74.09 162.68 28.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -73.78 131.92 42.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.865 ' HB2' ' CB ' ' A' ' 83' ' ' PRO . . . -69.87 97.35 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.9 m -161.89 147.71 13.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 81.66 -176.43 54.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.46 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 109.65 2.35 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 64.8 m -78.24 92.99 4.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.3 m -52.55 167.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.445 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -145.19 169.02 19.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.822 0.344 . . . . 0.0 110.903 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.6 m -111.42 168.88 9.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.03 132.33 10.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -152.11 138.14 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -159.34 145.48 16.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.86 72.5 1.06 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 9' ' ' ALA . 9.0 p -38.71 -40.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -45.19 98.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.076 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.9 m -78.54 141.74 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.1 mt -104.84 123.42 58.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -112.36 118.91 36.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.9 t -95.68 89.06 5.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -170.63 151.16 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -85.57 -47.57 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -163.37 176.9 9.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.12 136.49 10.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.575 0.703 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 134.82 28.91 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.694 2.263 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.7 t -120.65 -22.47 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.618 ' OE2' HD23 ' A' ' 43' ' ' LEU . 19.0 tt0 -94.53 138.64 32.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.26 148.82 37.81 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.645 0.735 . . . . 0.0 111.092 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 114.08 3.59 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.577 HG22 ' H ' ' A' ' 24' ' ' GLU . 1.1 m -94.92 171.11 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.577 ' H ' HG22 ' A' ' 23' ' ' THR . 31.4 mt-10 61.08 33.86 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.864 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 HD11 ' A' ' 106' ' ' ILE . 7.3 p -89.0 126.6 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.19 -177.85 15.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.424 HG12 HG13 ' A' ' 37' ' ' VAL . 31.1 m -145.72 125.63 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.895 0.379 . . . . 0.0 111.136 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' CD ' HD23 ' A' ' 30' ' ' LEU . 3.3 tmtm? -113.66 125.52 54.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.493 HG11 ' HA ' ' A' ' 110' ' ' THR . 48.8 t -86.38 122.58 38.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.477 HD23 ' CD ' ' A' ' 28' ' ' LYS . 4.2 mt -92.35 -46.61 7.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.6 -178.05 6.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t -59.76 -36.36 76.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.5 t -116.32 15.31 15.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.834 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -128.24 137.93 52.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD11 HG22 ' A' ' 110' ' ' THR . 26.3 mt -156.2 149.8 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.181 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 m -126.35 137.07 53.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.495 HG21 HG21 ' A' ' 89' ' ' ILE . 38.1 t -121.57 112.44 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -108.46 136.46 48.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' CD2' HG11 ' A' ' 91' ' ' VAL . 48.1 p90 -138.41 -178.37 5.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.01 132.0 53.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -62.17 136.51 57.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.455 HG21 HG11 ' A' ' 47' ' ' VAL . 33.7 m -83.83 169.47 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' OE2' ' A' ' 20' ' ' GLU . 4.2 pp -80.02 -9.49 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 40.8 mp0 -82.96 108.36 16.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.78 -15.07 57.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.541 ' C ' HD12 ' A' ' 46' ' ' ILE . 2.3 pp -75.86 -16.21 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.089 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.2 m -53.01 115.22 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -55.05 -51.78 65.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.33 179.71 3.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.746 ' CE1' ' HB2' ' A' ' 93' ' ' ALA . 99.6 m-85 -111.78 104.16 12.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.445 ' CD ' ' O ' ' A' ' 92' ' ' GLY . 18.3 pm0 -80.14 144.68 32.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.781 HG13 HG22 ' A' ' 91' ' ' VAL . 5.2 mp -122.82 89.5 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -75.15 126.19 30.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -140.88 137.52 33.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . . . . . . . . . 10.2 p90 -156.74 146.55 20.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.522 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . . . -61.11 146.46 47.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.52 -41.71 61.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.504 ' CE1' ' HB1' ' A' ' 56' ' ' ALA . 9.1 p-80 -66.74 -41.23 88.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.522 ' OD2' ' HB3' ' A' ' 56' ' ' ALA . 2.6 m-20 -51.37 174.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -105.84 171.77 7.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -83.8 13.2 5.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -113.11 -30.45 6.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.44 17.25 13.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -76.82 132.87 39.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -80.47 -177.86 6.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -155.02 115.36 3.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -98.99 112.9 32.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 4.6 tm0? -101.45 123.49 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -128.09 155.33 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.626 HG23 ' H ' ' A' ' 73' ' ' GLU . 10.2 t -45.11 136.84 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t -52.67 -35.23 54.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.878 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -54.99 -43.42 73.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.626 ' H ' HG23 ' A' ' 70' ' ' THR . 6.1 mm-40 -54.42 113.32 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -78.89 -12.62 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.3 p -148.53 165.57 30.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.842 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -134.87 172.3 13.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -132.18 150.43 52.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' HB2' HD11 ' A' ' 81' ' ' LEU . 48.2 mt -119.33 146.93 44.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -138.07 166.22 24.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 60.76 53.41 3.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 78' ' ' LEU . 9.4 mt -117.76 145.87 44.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.0 148.2 78.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.628 0.728 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.505 ' HG3' ' HB2' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 150.83 69.04 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.397 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.448 ' N ' ' OG1' ' A' ' 110' ' ' THR . 33.2 t70 41.44 54.25 3.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 99.6 m -129.23 123.49 32.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.097 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -69.15 117.29 10.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -119.97 118.89 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -79.71 102.0 8.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 HG21 ' A' ' 37' ' ' VAL . 28.5 mt -94.58 136.7 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' CD ' ' C ' ' A' ' 89' ' ' ILE . 19.0 mp0 -141.0 123.59 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.781 HG22 HG13 ' A' ' 52' ' ' ILE . 47.5 t -116.21 113.39 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.445 ' O ' ' CD ' ' A' ' 51' ' ' GLN . . . -140.08 125.05 2.83 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.746 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . . . -65.23 133.7 52.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.5 t -158.62 133.57 8.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.632 ' ND2' ' HB3' ' A' ' 97' ' ' ALA . 33.5 p-10 -108.22 150.86 26.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.1 t -47.85 -39.87 19.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.632 ' HB3' ' ND2' ' A' ' 95' ' ' ASN . . . -55.19 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -109.94 153.23 17.06 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 29.8 m -102.83 125.65 49.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.84 0.352 . . . . 0.0 110.89 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -106.66 160.18 14.5 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.518 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 140.32 42.5 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.716 2.278 . . . . 0.0 112.335 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 164.8 33.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.656 2.237 . . . . 0.0 112.347 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 79.3 p -77.74 177.73 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -56.89 144.43 33.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 32.1 ttm -70.77 103.79 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.533 HD11 HG13 ' A' ' 25' ' ' VAL . 10.9 mt -100.29 151.39 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' N ' ' CG2' ' A' ' 106' ' ' ILE . 2.3 pm0 -125.46 136.28 53.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -119.93 154.14 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -130.24 102.68 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.493 ' HA ' HG11 ' A' ' 29' ' ' VAL . 57.8 p -57.19 -175.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 29.5 mmtp -103.14 167.37 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -81.31 121.35 26.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.505 ' HB2' ' HG3' ' A' ' 83' ' ' PRO . . . -53.62 -62.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.0 t -84.16 133.65 34.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.16 142.53 6.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.432 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 143.77 51.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.0 m -159.3 147.05 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 83.8 p -79.51 88.59 5.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.468 179.997 . . . . . . . . 0 0 . 1 stop_ save_